f | { | f | { |
| "author": null, | | "author": null, |
| "author_email": null, | | "author_email": null, |
| "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8", | | "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8", |
| "extras": [], | | "extras": [], |
| "groups": [], | | "groups": [], |
| "id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", | | "id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| "isopen": false, | | "isopen": false, |
| "license_id": null, | | "license_id": null, |
| "license_title": null, | | "license_title": null, |
| "maintainer": null, | | "maintainer": null, |
| "maintainer_email": null, | | "maintainer_email": null, |
| "metadata_created": "2023-05-19T08:31:05.721429", | | "metadata_created": "2023-05-19T08:31:05.721429", |
n | "metadata_modified": "2023-05-19T08:31:05.721434", | n | "metadata_modified": "2023-05-19T08:31:07.293071", |
| "name": "vacuum-deposition_irppy2acac-cbp_5wtpc_anneal-300k_1of2", | | "name": "vacuum-deposition_irppy2acac-cbp_5wtpc_anneal-300k_1of2", |
n | "notes": null, | n | "notes": "This trajectory begins from a vacuum-deposition simulation |
| | | of 5 wt% Ir(ppy)2(acac):CBP on graphene that has just reached an |
| | | approximate film thickness of 12.5 nm (replica 1 of 2). Each of the |
| | | 100 numbered files represents a consecutive segment of the trajectory |
| | | (managed by PyThinFilm).", |
| "num_resources": 0, | | "num_resources": 909, |
| "num_tags": 0, | | "num_tags": 12, |
| "organization": { | | "organization": { |
| "approval_status": "approved", | | "approval_status": "approved", |
| "created": "2018-08-22T23:34:31.662568", | | "created": "2018-08-22T23:34:31.662568", |
| "description": "The group focuses on understanding and predicting | | "description": "The group focuses on understanding and predicting |
| the macroscopic (experimentally observable) properties of biomolecular | | the macroscopic (experimentally observable) properties of biomolecular |
| systems such as proteins, nucleic acids and lipid aggregates, in terms | | systems such as proteins, nucleic acids and lipid aggregates, in terms |
| of the interactions between atoms. In particular, our work | | of the interactions between atoms. In particular, our work |
| concentrates on the development of tools (i.e. simulation software, | | concentrates on the development of tools (i.e. simulation software, |
| atomic force fields, theoretical models and experimental techniques) | | atomic force fields, theoretical models and experimental techniques) |
| that can be used to understand and predict the physico-chemical basis | | that can be used to understand and predict the physico-chemical basis |
| of interactions and dynamic processes within biomolecular systems. | | of interactions and dynamic processes within biomolecular systems. |
| Specific areas of interest include structure prediction, protein and | | Specific areas of interest include structure prediction, protein and |
| peptide folding, the self-assembly of protein/lipid complexes and the | | peptide folding, the self-assembly of protein/lipid complexes and the |
| calculation of thermodynamic properties such as ligand binding | | calculation of thermodynamic properties such as ligand binding |
| affinities.\r\n\r\n(Image created by Dr D. Poger)", | | affinities.\r\n\r\n(Image created by Dr D. Poger)", |
| "id": "13d88f1a-558b-460e-ad12-400abee89835", | | "id": "13d88f1a-558b-460e-ad12-400abee89835", |
| "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg", | | "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg", |
| "is_organization": true, | | "is_organization": true, |
| "name": "mduq", | | "name": "mduq", |
| "state": "active", | | "state": "active", |
| "title": "Molecular Dynamics Group UQ", | | "title": "Molecular Dynamics Group UQ", |
| "type": "organization" | | "type": "organization" |
| }, | | }, |
| "owner_org": "13d88f1a-558b-460e-ad12-400abee89835", | | "owner_org": "13d88f1a-558b-460e-ad12-400abee89835", |
| "private": false, | | "private": false, |
| "relationships_as_object": [], | | "relationships_as_object": [], |
| "relationships_as_subject": [], | | "relationships_as_subject": [], |
n | "resources": [], | n | "resources": [ |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903720", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "1ee9e0cd-5319-499c-86c7-e20cd32cfe63", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.297244", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00001.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 0, |
| | | "resource_type": "control", |
| | | "run": 1, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00001.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903725", |
| | | "description": null, |
| | | "format": "itp", |
| | | "hash": "", |
| | | "id": "f5ece16b-7e3d-4a4b-94ab-753414c19c0e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.297391", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": "GRM4x_restr_nobonds.itp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 1, |
| | | "resource_type": "forcefield-files", |
| | | "run": 1, |
| | | "size": 3614642, |
| | | "state": "active", |
| | | "url": |
| | | /CPULu7Xic0YUlGEfYAYOUwQv-LWmfCjRLBhAb5mQ5x8/GRM4x_restr_nobonds.itp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903727", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "4be455b3-071d-475c-89a6-db6040d399b9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.297508", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00001.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 2, |
| | | "resource_type": "forcefield-files", |
| | | "run": 1, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00001.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903728", |
| | | "description": null, |
| | | "format": "itp", |
| | | "hash": "", |
| | | "id": "00e12038-5690-410d-9c7d-65884066f142", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.297622", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": "IPAR_oldcharges_heavyH.itp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 3, |
| | | "resource_type": "forcefield-files", |
| | | "run": 1, |
| | | "size": 18247, |
| | | "state": "active", |
| | | "url": |
| | | LbuHdrpl8YmYhaoj8T-qS5A9jwcFNdFdczwAV0VnI/IPAR_oldcharges_heavyH.itp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903730", |
| | | "description": null, |
| | | "format": "ff.zip", |
| | | "hash": "", |
| | | "id": "cf35f728-89cf-46bb-a785-4ed641d863af", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.297736", |
| | | "mimetype": "application/zip", |
| | | "mimetype_inner": null, |
| | | "name": "gromos54a7_atb.ff.zip", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 4, |
| | | "resource_type": "forcefield-files", |
| | | "run": 1, |
| | | "size": 82055, |
| | | "state": "active", |
| | | "url": |
| | | es/2M974Py4PkXn-DfdfmYMRPFoIvroB12Fx90NqDI0C2c/gromos54a7_atb.ff.zip", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903731", |
| | | "description": null, |
| | | "format": "itp", |
| | | "hash": "", |
| | | "id": "083466df-51b4-40e2-b94f-bc61ca3e20ea", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.297847", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": "CBP_heavyH.itp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 5, |
| | | "resource_type": "forcefield-files", |
| | | "run": 1, |
| | | "size": 22450, |
| | | "state": "active", |
| | | "url": |
| | | eld-files/C4701ZZU8FFzx2uOz7z_v_LFnkqDrs1nTliRS3RCx8M/CBP_heavyH.itp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903732", |
| | | "description": null, |
| | | "format": "itp", |
| | | "hash": "", |
| | | "id": "962192fd-027e-4e0e-be33-cca7428c04ca", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.297956", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": "IPAS_oldcharges_heavyH.itp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 6, |
| | | "resource_type": "forcefield-files", |
| | | "run": 1, |
| | | "size": 18247, |
| | | "state": "active", |
| | | "url": |
| | | NHSa3Y1_1U5nGQtRkqs8o3_zGPuKOjH8WtsATgSO8/IPAS_oldcharges_heavyH.itp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903734", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "a8967010-7608-4bbe-9020-02addd10a429", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298065", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00001.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 7, |
| | | "resource_type": "trajectory", |
| | | "run": 1, |
| | | "size": 34070020, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00001.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903735", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "86c428df-6766-44ec-8d41-ad0d805fd67e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298175", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00001.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 8, |
| | | "resource_type": "input-coordinates", |
| | | "run": 1, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00001.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903736", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "83e28b29-e5e2-489e-986e-668143547808", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298285", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00001.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 9, |
| | | "resource_type": "log", |
| | | "run": 1, |
| | | "size": 39774, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00001.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903738", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "51ca245b-50f5-4c13-9fed-6abec3ac370a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298396", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00001.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 10, |
| | | "resource_type": "energy", |
| | | "run": 1, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00001.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903739", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "d6e0c07c-61d2-47bd-80a6-43dbcb0a0581", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298506", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00001.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 11, |
| | | "resource_type": "topology", |
| | | "run": 1, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00001.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903741", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "cd5aa733-5c0b-43fd-a622-65b0c9113d8c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298615", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00001.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 12, |
| | | "resource_type": "final-coordinates", |
| | | "run": 1, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00001.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903742", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "398940c7-8111-46bf-a3c6-8c32e62f8d55", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298724", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00001.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 13, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 1, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00001.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903743", |
| | | "description": null, |
| | | "format": "pdb", |
| | | "hash": "", |
| | | "id": "38af9d59-a3fb-47e2-9156-9de05dd359ea", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298835", |
| | | "mimetype": "chemical/x-pdb", |
| | | "mimetype_inner": null, |
| | | "name": "IPAR.pdb", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 14, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 1, |
| | | "size": 5275, |
| | | "state": "active", |
| | | "url": |
| | | nce-coordinates/gWeUb_HNoAXIguSt0wSKBdd7U3wMg3Mk_60U5hZ2JaA/IPAR.pdb", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903745", |
| | | "description": null, |
| | | "format": "pdb", |
| | | "hash": "", |
| | | "id": "931a384e-84c6-4ad7-bc62-96cf8cf9a070", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.298946", |
| | | "mimetype": "chemical/x-pdb", |
| | | "mimetype_inner": null, |
| | | "name": "GRM4x_restr_nobonds.pdb", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 15, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 1, |
| | | "size": 729109, |
| | | "state": "active", |
| | | "url": |
| | | /V3hJIvS38cimWwciLaTBOYIapv8bmmLdvQw4ZgaY9fM/GRM4x_restr_nobonds.pdb", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903746", |
| | | "description": null, |
| | | "format": "pdb", |
| | | "hash": "", |
| | | "id": "a78f95d2-e4aa-4894-8ddb-fa7bee577d87", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299056", |
| | | "mimetype": "chemical/x-pdb", |
| | | "mimetype_inner": null, |
| | | "name": "IPAS.pdb", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 16, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 1, |
| | | "size": 5275, |
| | | "state": "active", |
| | | "url": |
| | | nce-coordinates/wJCYJBrpHuOLQSySjVVfkrBnMb_e4iM7HYGIQ43pDgc/IPAS.pdb", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903747", |
| | | "description": null, |
| | | "format": "pdb", |
| | | "hash": "", |
| | | "id": "6ddec4a6-665a-476c-8ff9-10c8a383a9a1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299181", |
| | | "mimetype": "chemical/x-pdb", |
| | | "mimetype_inner": null, |
| | | "name": "CBP.pdb", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 17, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 1, |
| | | "size": 4203, |
| | | "state": "active", |
| | | "url": |
| | | ence-coordinates/F8HHTlnc8BYdTr0B0xRP4wCiUj-8snzYZtK9ReIr3q0/CBP.pdb", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903749", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "a19cbe4e-7e2b-47ce-9766-e8691c5d7049", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299290", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00002.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 18, |
| | | "resource_type": "control", |
| | | "run": 2, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00002.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903750", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "24abc6ea-4da8-4ba3-9a2a-a417ec76c507", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299398", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00002.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 19, |
| | | "resource_type": "forcefield-files", |
| | | "run": 2, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00002.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903752", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "05810529-24b7-46bf-b34e-fd245f8d1432", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299505", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00002.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 20, |
| | | "resource_type": "trajectory", |
| | | "run": 2, |
| | | "size": 34071452, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00002.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903753", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "925a1996-7c1f-42bc-aee9-294f35bddc7a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299621", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00002.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 21, |
| | | "resource_type": "input-coordinates", |
| | | "run": 2, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00002.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903755", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "f4dec869-9904-49eb-bbe3-e35da2e9f44a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299732", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00002.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 22, |
| | | "resource_type": "log", |
| | | "run": 2, |
| | | "size": 39776, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00002.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903756", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "4d9e286f-d107-42f2-98d4-5cd04e0cfceb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299842", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00002.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 23, |
| | | "resource_type": "energy", |
| | | "run": 2, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00002.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903757", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "245eddd2-0a77-45ba-a9b5-bdb4d156bdc0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.299951", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00002.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 24, |
| | | "resource_type": "topology", |
| | | "run": 2, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00002.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903759", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fc9b253b-118b-49a0-aa06-e571f5b2a113", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300059", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00002.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 25, |
| | | "resource_type": "final-coordinates", |
| | | "run": 2, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00002.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903760", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "56bed594-0f2d-4100-a0d8-3423894560fd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300166", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00002.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 26, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 2, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00002.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903762", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "160e73cf-4d4f-4491-a1fc-b632f24dffc0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300273", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00003.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 27, |
| | | "resource_type": "control", |
| | | "run": 3, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00003.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903763", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "a10bab5d-3894-4b3a-901a-c4b47e6df3e6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300381", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00003.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 28, |
| | | "resource_type": "forcefield-files", |
| | | "run": 3, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00003.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903764", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "9123a183-8e2e-46cb-874d-987f86654ee8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300487", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00003.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 29, |
| | | "resource_type": "trajectory", |
| | | "run": 3, |
| | | "size": 34068356, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00003.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903766", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b0c2eae7-ebbc-4e1d-b7a0-f40346441e11", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300595", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00003.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 30, |
| | | "resource_type": "input-coordinates", |
| | | "run": 3, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00003.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903767", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "ed4f3492-cd5a-43f9-b6bf-ae8b088233aa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300703", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00003.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 31, |
| | | "resource_type": "log", |
| | | "run": 3, |
| | | "size": 39777, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00003.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903768", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "3774b019-073e-4a34-82de-9713a9b6ca2e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300811", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00003.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 32, |
| | | "resource_type": "energy", |
| | | "run": 3, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00003.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903770", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "e271ef90-24bc-40f5-a354-b78fafd06d89", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.300919", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00003.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 33, |
| | | "resource_type": "topology", |
| | | "run": 3, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00003.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903771", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ec1f4823-3f59-433c-887a-6f5b8775c925", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301027", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00003.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 34, |
| | | "resource_type": "final-coordinates", |
| | | "run": 3, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00003.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903773", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "901440c9-4947-4b6d-b892-2f811c0a2886", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301134", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00003.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 35, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 3, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00003.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903774", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "4c529e70-6ec7-4c25-9aa4-62a11b8405de", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301244", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00004.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 36, |
| | | "resource_type": "control", |
| | | "run": 4, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00004.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903775", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "b15567f0-7b05-440e-85b9-7121ebdc9417", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301354", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00004.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 37, |
| | | "resource_type": "forcefield-files", |
| | | "run": 4, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00004.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903777", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "81ee19a8-0695-4d03-b6b5-23f8e8a96660", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301462", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00004.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 38, |
| | | "resource_type": "trajectory", |
| | | "run": 4, |
| | | "size": 34070968, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00004.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903778", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e4d1c98f-9c10-4d47-a0fb-a193b3ecbbf6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301570", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00004.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 39, |
| | | "resource_type": "input-coordinates", |
| | | "run": 4, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00004.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903779", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "5f7be51b-d9a5-4971-bbf9-2be4fe62b29d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301679", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00004.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 40, |
| | | "resource_type": "log", |
| | | "run": 4, |
| | | "size": 39776, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00004.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903781", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "7033d6e2-dbaa-4e2f-8ab7-1e9bab1457f3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301786", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00004.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 41, |
| | | "resource_type": "energy", |
| | | "run": 4, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00004.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903782", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "ec1acb60-6d88-4374-bd05-89e88c715bc8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.301894", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00004.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 42, |
| | | "resource_type": "topology", |
| | | "run": 4, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00004.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903783", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "196c3517-11b7-4cda-8c40-065c54a8930f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302002", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00004.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 43, |
| | | "resource_type": "final-coordinates", |
| | | "run": 4, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00004.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903784", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b44741f9-ea1d-4fcd-a0cb-1166f7ee786c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302109", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00004.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 44, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 4, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00004.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903786", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "61ba2862-cf0d-4024-9721-c5cfda9b0663", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302217", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00005.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 45, |
| | | "resource_type": "control", |
| | | "run": 5, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00005.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903787", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "82491a01-ebfd-4fe6-95a5-9848d61e439d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302325", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00005.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 46, |
| | | "resource_type": "forcefield-files", |
| | | "run": 5, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00005.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903789", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "f6d541dc-3994-489c-a779-49087bab0b39", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302432", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00005.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 47, |
| | | "resource_type": "trajectory", |
| | | "run": 5, |
| | | "size": 34073484, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00005.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903790", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "366b813b-6d27-49b3-9008-f5d8c5d20390", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302540", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00005.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 48, |
| | | "resource_type": "input-coordinates", |
| | | "run": 5, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00005.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903791", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "66c391a1-f9e0-47c6-8c7f-b7156b700755", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302653", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00005.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 49, |
| | | "resource_type": "log", |
| | | "run": 5, |
| | | "size": 39777, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00005.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903792", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "c34f42c4-6fe0-40d4-b045-ae27c4c3873a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302762", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00005.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 50, |
| | | "resource_type": "energy", |
| | | "run": 5, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00005.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903794", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "f63dcac7-c640-4a44-a941-71f2cd45d9fa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302869", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00005.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 51, |
| | | "resource_type": "topology", |
| | | "run": 5, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00005.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903795", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "f0e8d99c-a432-433c-a274-94497b6a1d9b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.302976", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00005.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 52, |
| | | "resource_type": "final-coordinates", |
| | | "run": 5, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00005.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903797", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9aad10ca-600a-4576-a8e5-3dac59417d5b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303093", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00005.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 53, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 5, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00005.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903798", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "15e25292-52a8-42d0-bb14-463c9688a25a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303203", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00006.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 54, |
| | | "resource_type": "control", |
| | | "run": 6, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00006.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903799", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "331a84da-06ff-4208-8fcd-309f1264dcfc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303310", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00006.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 55, |
| | | "resource_type": "forcefield-files", |
| | | "run": 6, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00006.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903801", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "6e8b9b33-2745-40c7-92b5-647976192c57", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303417", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00006.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 56, |
| | | "resource_type": "trajectory", |
| | | "run": 6, |
| | | "size": 34073452, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00006.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903802", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "21e16f4c-ba3a-44c1-9a73-6a44793844d8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303523", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00006.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 57, |
| | | "resource_type": "input-coordinates", |
| | | "run": 6, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00006.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903803", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "c00fb755-674c-4736-a32f-7f264e1ad8b3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303630", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00006.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 58, |
| | | "resource_type": "log", |
| | | "run": 6, |
| | | "size": 39776, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00006.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903805", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "ca83da42-19bc-4a14-8ad5-9a276be248c2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303738", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00006.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 59, |
| | | "resource_type": "energy", |
| | | "run": 6, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00006.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903806", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "99b3be34-fcce-4e0f-888e-a3116770266b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303845", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00006.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 60, |
| | | "resource_type": "topology", |
| | | "run": 6, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00006.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903808", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "91433dbe-58e9-4031-8dc4-0ef6ebcd0676", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.303951", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00006.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 61, |
| | | "resource_type": "final-coordinates", |
| | | "run": 6, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00006.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903809", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "be8e74db-2f26-4b2d-86cf-9442b2f73dea", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304058", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00006.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 62, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 6, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00006.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903811", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "b28756e2-2d4a-4d10-b14f-e81fb96232aa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304165", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00007.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 63, |
| | | "resource_type": "control", |
| | | "run": 7, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00007.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903812", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "930e374a-21ee-496f-842b-e4669f3a2aad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304274", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00007.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 64, |
| | | "resource_type": "forcefield-files", |
| | | "run": 7, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00007.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903813", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "a759b9a2-b87d-4416-8bad-e65b546a10af", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304381", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00007.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 65, |
| | | "resource_type": "trajectory", |
| | | "run": 7, |
| | | "size": 34073972, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00007.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903815", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4a811a6a-1e1b-43e3-bd44-dce4aa41a9ac", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304488", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00007.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 66, |
| | | "resource_type": "input-coordinates", |
| | | "run": 7, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00007.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903816", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "54c8b038-9ce9-43d4-bdbe-65b40f8ccb5e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304595", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00007.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 67, |
| | | "resource_type": "log", |
| | | "run": 7, |
| | | "size": 39775, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00007.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903817", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "cbb48cbe-1eba-482e-9005-fe97c2380b16", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304702", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00007.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 68, |
| | | "resource_type": "energy", |
| | | "run": 7, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00007.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903819", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "87ae0e8f-9a7a-485b-8a38-2771a7706469", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.304809", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00007.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 69, |
| | | "resource_type": "topology", |
| | | "run": 7, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00007.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903820", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "10880ee8-3c4f-49ff-a04e-bfc864289f5d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305060", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00007.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 70, |
| | | "resource_type": "final-coordinates", |
| | | "run": 7, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00007.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903821", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c4da36e9-d6be-4f3b-9d9a-4a32eb19c0da", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305179", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00007.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 71, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 7, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00007.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903823", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "96a86a33-48b0-4a8c-a5b9-bd3775d9522e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305292", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00008.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 72, |
| | | "resource_type": "control", |
| | | "run": 8, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00008.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903824", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "52d92bf1-fe2c-4ed7-ac1f-4f6b6c8a5d52", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305403", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00008.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 73, |
| | | "resource_type": "forcefield-files", |
| | | "run": 8, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00008.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903825", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "6ec04e41-55ff-4f96-b6cb-d59bdd375352", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305512", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00008.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 74, |
| | | "resource_type": "trajectory", |
| | | "run": 8, |
| | | "size": 34078256, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00008.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903827", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fc2508ed-cc10-43c7-b383-ba8e3da73ab5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305628", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00008.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 75, |
| | | "resource_type": "input-coordinates", |
| | | "run": 8, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00008.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903828", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "f757c45f-ead3-46d6-af2c-3b0cef4045f2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305738", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00008.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 76, |
| | | "resource_type": "log", |
| | | "run": 8, |
| | | "size": 39775, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00008.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903829", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "e2fa34bd-5a61-4f15-b28a-326d223fea38", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305847", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00008.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 77, |
| | | "resource_type": "energy", |
| | | "run": 8, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00008.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903831", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "200cdfa7-d2c7-456e-ab0c-bdd87bf72866", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.305955", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00008.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 78, |
| | | "resource_type": "topology", |
| | | "run": 8, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00008.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903832", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7313bfc4-cef7-482c-aabc-abc868b2497c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306063", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00008.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 79, |
| | | "resource_type": "final-coordinates", |
| | | "run": 8, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00008.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903833", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4b527526-ee27-4e91-be1e-5e5625f0d25c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306170", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00008.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 80, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 8, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00008.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903834", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "9763dd8c-aa2e-4b3f-9334-6e9ae5a07c67", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306278", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00009.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 81, |
| | | "resource_type": "control", |
| | | "run": 9, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00009.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903836", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "762fbca9-2a77-4d55-9dd5-3cdbf0c8c7d9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306384", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00009.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 82, |
| | | "resource_type": "forcefield-files", |
| | | "run": 9, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00009.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903837", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "fe9363e2-0034-41a0-b866-ab5ba44c6157", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306490", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00009.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 83, |
| | | "resource_type": "trajectory", |
| | | "run": 9, |
| | | "size": 34081384, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00009.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903838", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a775f330-5741-4b92-9fd7-f6a49780bcb6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306599", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00009.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 84, |
| | | "resource_type": "input-coordinates", |
| | | "run": 9, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00009.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903840", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "d219670f-4701-426f-8a8d-86210e301a24", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306705", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00009.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 85, |
| | | "resource_type": "log", |
| | | "run": 9, |
| | | "size": 39775, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00009.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903841", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "480e39b4-8810-43aa-85d0-6eb7a7caa467", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306813", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00009.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 86, |
| | | "resource_type": "energy", |
| | | "run": 9, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00009.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903842", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "6e6749cc-1abc-46db-b2f3-593f513b8a02", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.306921", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00009.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 87, |
| | | "resource_type": "topology", |
| | | "run": 9, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00009.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903843", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6316b7c2-6c2f-40ff-be8d-b96858b5722f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307029", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00009.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 88, |
| | | "resource_type": "final-coordinates", |
| | | "run": 9, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00009.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903845", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "05154a6c-c5c3-4c62-acb7-24d3069de81c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307148", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00009.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 89, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 9, |
| | | "size": 21713807, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00009.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903846", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "1bfe6c3a-3c38-4536-8c9f-884f8fa7e296", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307257", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00010.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 90, |
| | | "resource_type": "control", |
| | | "run": 10, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00010.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903847", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "8d6b514a-b664-4fe0-930a-d696f2248d1b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307365", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00010.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 91, |
| | | "resource_type": "forcefield-files", |
| | | "run": 10, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00010.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903849", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "ff837f1f-0d01-4abc-86dc-d93797e8657a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307473", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00010.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 92, |
| | | "resource_type": "trajectory", |
| | | "run": 10, |
| | | "size": 34077660, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00010.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903850", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d5266425-d285-408d-a3d9-34231fa85236", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307580", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00010.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 93, |
| | | "resource_type": "input-coordinates", |
| | | "run": 10, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00010.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903851", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "2de18f75-356b-41d3-990c-2bf4266c394e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307687", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00010.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 94, |
| | | "resource_type": "log", |
| | | "run": 10, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00010.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903853", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "68e3bd47-8e2f-4184-a377-a091917e0da2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307795", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00010.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 95, |
| | | "resource_type": "energy", |
| | | "run": 10, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00010.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903854", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "7e63283e-aa68-4aca-a717-a821901baccb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.307902", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00010.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 96, |
| | | "resource_type": "topology", |
| | | "run": 10, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00010.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903855", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "f9f9c3b1-bdf9-4843-a066-3a6ea77bde0d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308008", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00010.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 97, |
| | | "resource_type": "final-coordinates", |
| | | "run": 10, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00010.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903857", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a6781940-6d76-48cb-bf2c-d397fa2d62fa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308115", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00010.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 98, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 10, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00010.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903858", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "be62221f-16dc-4730-93f0-cf1ae51b8c35", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308221", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00011.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 99, |
| | | "resource_type": "control", |
| | | "run": 11, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00011.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903859", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "7c69abc0-fdb8-4253-8b7c-28b0459a3ac2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308326", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00011.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 100, |
| | | "resource_type": "forcefield-files", |
| | | "run": 11, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00011.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903861", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "da888e74-5341-4d2b-863d-6e00a69983f6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308432", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00011.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 101, |
| | | "resource_type": "trajectory", |
| | | "run": 11, |
| | | "size": 34078280, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00011.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903862", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e037f0ee-a991-4b67-96bf-164f9869fe46", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308538", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00011.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 102, |
| | | "resource_type": "input-coordinates", |
| | | "run": 11, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00011.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903863", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "ba69bf14-2a0a-47d4-8ef3-6767a1af86f0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308652", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00011.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 103, |
| | | "resource_type": "log", |
| | | "run": 11, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00011.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903865", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "6e270f3a-7a1c-4f99-ac81-22c6726cda84", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308760", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00011.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 104, |
| | | "resource_type": "energy", |
| | | "run": 11, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00011.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903866", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "a96b96bb-96e0-451b-9c31-b34f8f91e011", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308867", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00011.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 105, |
| | | "resource_type": "topology", |
| | | "run": 11, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00011.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903867", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "543811aa-bf9f-467b-9f56-7b2b3cf94e3a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.308972", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00011.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 106, |
| | | "resource_type": "final-coordinates", |
| | | "run": 11, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00011.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903869", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ec09ce87-bb8c-4809-b7a8-8aed36f27fec", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309079", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00011.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 107, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 11, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00011.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903870", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "2383de8c-6dd1-4afe-b786-d70e88f67aca", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309186", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00012.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 108, |
| | | "resource_type": "control", |
| | | "run": 12, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00012.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903871", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "47e6bd95-c597-44ca-9116-891dc042761c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309292", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00012.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 109, |
| | | "resource_type": "forcefield-files", |
| | | "run": 12, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00012.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903873", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "5f1e96e6-4301-42f8-96db-418f335d091d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309397", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00012.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 110, |
| | | "resource_type": "trajectory", |
| | | "run": 12, |
| | | "size": 34077504, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00012.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903874", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "eb2fe051-0369-4bba-b480-f78f68dbe681", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309504", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00012.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 111, |
| | | "resource_type": "input-coordinates", |
| | | "run": 12, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00012.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903875", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "10666372-b54d-40cb-a3ef-417f054f88ad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309616", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00012.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 112, |
| | | "resource_type": "log", |
| | | "run": 12, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00012.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903876", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "0f9a4500-9463-4c2f-85eb-e67bb7ebf69b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309724", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00012.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 113, |
| | | "resource_type": "energy", |
| | | "run": 12, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00012.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903878", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "32349c9d-2096-49f8-bd72-1ecff5b6955e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309831", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00012.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 114, |
| | | "resource_type": "topology", |
| | | "run": 12, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00012.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903879", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c8976d2b-a4ff-4c6c-9d65-09ffbb5971f6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.309937", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00012.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 115, |
| | | "resource_type": "final-coordinates", |
| | | "run": 12, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00012.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903880", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "42fba5f3-becc-4536-a09b-39122c3d9878", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310045", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00012.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 116, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 12, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00012.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903882", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "48878c5f-9985-4732-8870-d43b9274065f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310154", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00013.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 117, |
| | | "resource_type": "control", |
| | | "run": 13, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00013.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903883", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "24fce093-161a-4b53-983f-a2b255fd3d8d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310261", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00013.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 118, |
| | | "resource_type": "forcefield-files", |
| | | "run": 13, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00013.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903884", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "95744f35-013c-4989-a42e-8133f2f8f461", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310369", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00013.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 119, |
| | | "resource_type": "trajectory", |
| | | "run": 13, |
| | | "size": 34076472, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00013.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903886", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5d3a7232-1734-48d7-9f5e-1ccc573717de", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310476", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00013.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 120, |
| | | "resource_type": "input-coordinates", |
| | | "run": 13, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00013.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903887", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "0150901c-453e-49f0-9c2b-f504fc91aa76", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310583", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00013.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 121, |
| | | "resource_type": "log", |
| | | "run": 13, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00013.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903888", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "2c9a7fb4-9d9c-4404-b5d1-efcb1d8e7363", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310689", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00013.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 122, |
| | | "resource_type": "energy", |
| | | "run": 13, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00013.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903889", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "534d7f1f-c079-4e42-9d8c-86fa2c134c13", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310795", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00013.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 123, |
| | | "resource_type": "topology", |
| | | "run": 13, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00013.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903891", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "44742752-b7c1-4a8f-a925-992cc326d68d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.310901", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00013.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 124, |
| | | "resource_type": "final-coordinates", |
| | | "run": 13, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00013.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903892", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b3220a89-0579-4c64-8f6a-ef949b92da34", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311008", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00013.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 125, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 13, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00013.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903894", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "b1ba1fca-1c49-4953-b369-0cff313fc5bc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311123", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00014.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 126, |
| | | "resource_type": "control", |
| | | "run": 14, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00014.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903895", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "b91f0f2d-eeff-4794-a26c-0bf28798fe85", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311233", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00014.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 127, |
| | | "resource_type": "forcefield-files", |
| | | "run": 14, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00014.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903896", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "b88da15e-be3c-4d67-8159-4437357d6b52", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311338", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00014.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 128, |
| | | "resource_type": "trajectory", |
| | | "run": 14, |
| | | "size": 34072008, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00014.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903897", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5f82fd26-c48a-4cbd-bfd0-7ba044722032", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311445", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00014.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 129, |
| | | "resource_type": "input-coordinates", |
| | | "run": 14, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00014.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903899", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "e385de08-2b45-45b5-aa46-f370be24a968", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311551", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00014.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 130, |
| | | "resource_type": "log", |
| | | "run": 14, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00014.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903900", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "18526d7e-567a-4005-9a46-1f29456e695b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311657", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00014.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 131, |
| | | "resource_type": "energy", |
| | | "run": 14, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00014.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903901", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "59131399-7573-4ce3-bfb0-089304389fbd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311763", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00014.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 132, |
| | | "resource_type": "topology", |
| | | "run": 14, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00014.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903903", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "cb95a029-540b-40fe-be51-88ed9a7c3421", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311869", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00014.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 133, |
| | | "resource_type": "final-coordinates", |
| | | "run": 14, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00014.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903904", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "571c5972-297b-44b3-bb18-c8fbc0f21bac", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.311975", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00014.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 134, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 14, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00014.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903905", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "a2168b5a-fecb-4e8c-8cc5-0fd9ac539aab", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312081", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00015.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 135, |
| | | "resource_type": "control", |
| | | "run": 15, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00015.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903907", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "4691ba2c-0ab8-47c3-b70d-807316c753a7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312186", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00015.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 136, |
| | | "resource_type": "forcefield-files", |
| | | "run": 15, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00015.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903908", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "72edfe86-8093-4b70-99fb-945eb32db606", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312293", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00015.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 137, |
| | | "resource_type": "trajectory", |
| | | "run": 15, |
| | | "size": 34072856, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00015.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903909", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e531859f-6cb8-4324-a7f0-ddf56142f6c9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312400", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00015.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 138, |
| | | "resource_type": "input-coordinates", |
| | | "run": 15, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00015.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903910", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "7bd59fec-3992-492d-a095-5d9d3b013249", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312505", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00015.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 139, |
| | | "resource_type": "log", |
| | | "run": 15, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00015.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903912", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "28cda328-1afc-40d2-a663-a602bb3022e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312617", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00015.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 140, |
| | | "resource_type": "energy", |
| | | "run": 15, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00015.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903913", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "bb1f27b3-76a8-46f1-9ef0-0cc554a4c1d4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312724", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00015.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 141, |
| | | "resource_type": "topology", |
| | | "run": 15, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00015.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903914", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "094f266e-c382-4d43-82ff-17ed2c6ec9c7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312830", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00015.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 142, |
| | | "resource_type": "final-coordinates", |
| | | "run": 15, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00015.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903915", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "18f10013-40cf-4a22-a9dc-fc52ed181a88", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.312937", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00015.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 143, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 15, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00015.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903917", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "9eb2fbd7-d913-40b5-9b70-eca594037644", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313043", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00016.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 144, |
| | | "resource_type": "control", |
| | | "run": 16, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00016.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903918", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "6d23a458-e686-4572-8eb5-4b3a58599996", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313150", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00016.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 145, |
| | | "resource_type": "forcefield-files", |
| | | "run": 16, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00016.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903919", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "ef3a6d0b-073d-44be-af08-95574040a373", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313257", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00016.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 146, |
| | | "resource_type": "trajectory", |
| | | "run": 16, |
| | | "size": 34070132, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00016.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903921", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ed3a9067-0866-4a40-8ddd-c0864a9f6197", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313364", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00016.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 147, |
| | | "resource_type": "input-coordinates", |
| | | "run": 16, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00016.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903922", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "4325b4b3-30a3-4c5a-b311-7065e61185f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313471", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00016.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 148, |
| | | "resource_type": "log", |
| | | "run": 16, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00016.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903923", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "cdee4249-6429-42d7-b4c1-9eddbe60d8ef", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313578", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00016.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 149, |
| | | "resource_type": "energy", |
| | | "run": 16, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00016.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903924", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "a3540f58-277b-4b6d-8817-1dedabca2205", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313685", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00016.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 150, |
| | | "resource_type": "topology", |
| | | "run": 16, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00016.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903926", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7bfb1968-24fe-4c4a-b6bd-1631a08f66f0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313792", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00016.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 151, |
| | | "resource_type": "final-coordinates", |
| | | "run": 16, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00016.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903927", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7f32acc0-fe75-4e33-8690-52ae996467ce", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.313899", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00016.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 152, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 16, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00016.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903928", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "6fdf8221-eb87-4456-8d8d-cbd451242b11", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314006", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00017.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 153, |
| | | "resource_type": "control", |
| | | "run": 17, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00017.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903929", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "c49721b0-afbc-48cd-9a83-3a4433c645f7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314113", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00017.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 154, |
| | | "resource_type": "forcefield-files", |
| | | "run": 17, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00017.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903931", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "8ba8d5fd-f5b6-4cf1-ab79-cebeb8c666e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314219", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00017.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 155, |
| | | "resource_type": "trajectory", |
| | | "run": 17, |
| | | "size": 34075260, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00017.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903932", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "719dfd6d-16e2-4ae0-9d4d-edb2209d4a87", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314326", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00017.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 156, |
| | | "resource_type": "input-coordinates", |
| | | "run": 17, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00017.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903933", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "a97e5d4d-adfb-4bec-b799-c44f21d3fcdf", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314431", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00017.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 157, |
| | | "resource_type": "log", |
| | | "run": 17, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00017.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903935", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "25b4e844-2c81-4b4b-825b-3a00f1d906ba", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314538", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00017.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 158, |
| | | "resource_type": "energy", |
| | | "run": 17, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00017.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903936", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "9a615025-4647-4134-84ef-1e76742c305b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314644", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00017.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 159, |
| | | "resource_type": "topology", |
| | | "run": 17, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00017.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903937", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fdb6f046-6db7-469a-9bf0-baf8b9f9dd17", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314750", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00017.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 160, |
| | | "resource_type": "final-coordinates", |
| | | "run": 17, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00017.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903939", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b4959810-c94c-4dd7-8c40-d87de975a62c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.314921", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00017.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 161, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 17, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00017.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903940", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "ef23edac-980d-48cb-aedc-cafbb43ba315", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315034", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00018.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 162, |
| | | "resource_type": "control", |
| | | "run": 18, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00018.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903941", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "866289b2-b7c0-47fc-8e45-c9bba755b1d8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315152", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00018.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 163, |
| | | "resource_type": "forcefield-files", |
| | | "run": 18, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00018.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903942", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "dee3879b-4608-4b04-849e-c4e87f0609f6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315260", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00018.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 164, |
| | | "resource_type": "trajectory", |
| | | "run": 18, |
| | | "size": 34072600, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00018.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903944", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "bff8c660-879a-4e61-848a-a0c5ba6ec924", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315365", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00018.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 165, |
| | | "resource_type": "input-coordinates", |
| | | "run": 18, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00018.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903945", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "5393dd81-823a-440b-a98c-a0636b9fc2a0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315472", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00018.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 166, |
| | | "resource_type": "log", |
| | | "run": 18, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00018.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903946", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "86e7763f-3d94-4d65-8d86-ba6232a4c1f2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315579", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00018.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 167, |
| | | "resource_type": "energy", |
| | | "run": 18, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00018.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903948", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "bdbf07bf-5213-45f9-a500-69bcdf418f29", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315742", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00018.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 168, |
| | | "resource_type": "topology", |
| | | "run": 18, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00018.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903949", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "82775ed0-beb5-42df-9c26-b086f63b3e09", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315850", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00018.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 169, |
| | | "resource_type": "final-coordinates", |
| | | "run": 18, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00018.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903950", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d4e19ad0-35b6-4d99-8c92-07b704fd0cb7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.315958", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00018.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 170, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 18, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00018.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903952", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "29a0380f-37b4-4434-b07a-503c13592026", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316069", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00019.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 171, |
| | | "resource_type": "control", |
| | | "run": 19, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00019.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903953", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "bddff617-a180-49b2-8f83-d3ca4764bf3c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316177", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00019.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 172, |
| | | "resource_type": "forcefield-files", |
| | | "run": 19, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00019.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903954", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "8d89a5b4-94d3-4f7e-a9bf-5ccf0c6b63ec", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316285", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00019.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 173, |
| | | "resource_type": "trajectory", |
| | | "run": 19, |
| | | "size": 34075596, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00019.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903955", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ea6f2fcb-e112-4110-b291-60c2da278694", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316393", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00019.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 174, |
| | | "resource_type": "input-coordinates", |
| | | "run": 19, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00019.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903957", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "bac4e9fd-53ec-4a13-8397-fefb95442572", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316501", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00019.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 175, |
| | | "resource_type": "log", |
| | | "run": 19, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00019.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903958", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "fcfc8898-739c-4662-afa3-f885d522563d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316609", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00019.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 176, |
| | | "resource_type": "energy", |
| | | "run": 19, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00019.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903959", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "8db7d902-ee8b-4ecb-b2b8-435dd12d4fe5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316716", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00019.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 177, |
| | | "resource_type": "topology", |
| | | "run": 19, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00019.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903961", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "603c525e-2097-4418-8b87-ecb199f431fb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316823", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00019.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 178, |
| | | "resource_type": "final-coordinates", |
| | | "run": 19, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00019.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903962", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "f9955987-3955-487d-9cbc-3599415fa3d6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.316930", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00019.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 179, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 19, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00019.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903963", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "efd78afa-1821-4c80-8edb-13e284ca1901", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317036", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00020.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 180, |
| | | "resource_type": "control", |
| | | "run": 20, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00020.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903965", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "ab800254-ddbd-4328-9b42-df746ab32ab3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317143", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00020.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 181, |
| | | "resource_type": "forcefield-files", |
| | | "run": 20, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00020.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903966", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "d335b800-5fde-411c-9103-5d17471af6c2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317251", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00020.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 182, |
| | | "resource_type": "trajectory", |
| | | "run": 20, |
| | | "size": 34077960, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00020.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903967", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "30639436-65eb-4b4e-b749-ab11e8bbf856", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317358", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00020.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 183, |
| | | "resource_type": "input-coordinates", |
| | | "run": 20, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00020.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903969", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "b465fe0a-e989-4edf-9b59-38b930d8b572", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317465", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00020.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 184, |
| | | "resource_type": "log", |
| | | "run": 20, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00020.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903970", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "c0146287-f407-43f4-b2d5-ecb7ca30aa06", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317572", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00020.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 185, |
| | | "resource_type": "energy", |
| | | "run": 20, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00020.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903971", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "4fa5cee7-7b07-4719-834e-6c5f6fe06c4f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317679", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00020.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 186, |
| | | "resource_type": "topology", |
| | | "run": 20, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00020.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903973", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "84abad42-21bb-429f-afd2-fd9a3ac3ff5d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317785", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00020.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 187, |
| | | "resource_type": "final-coordinates", |
| | | "run": 20, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00020.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903974", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1fe35718-0961-4be2-89c4-0691c1851c07", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317891", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00020.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 188, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 20, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00020.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903975", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "9a075577-61c8-4c95-84b2-5aff04661d05", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.317997", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00021.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 189, |
| | | "resource_type": "control", |
| | | "run": 21, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00021.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903976", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "9e8cc26a-8176-410a-95ec-3944af6c54fd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318102", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00021.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 190, |
| | | "resource_type": "forcefield-files", |
| | | "run": 21, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00021.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903978", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "7886b332-061e-4812-9630-905b120c9c8a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318209", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00021.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 191, |
| | | "resource_type": "trajectory", |
| | | "run": 21, |
| | | "size": 34075184, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00021.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903979", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "2b92e718-c62d-4335-b781-a923f86979fd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318315", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00021.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 192, |
| | | "resource_type": "input-coordinates", |
| | | "run": 21, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00021.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903980", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "eff9ea17-23d2-4bfc-b6cf-560a2311c792", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318421", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00021.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 193, |
| | | "resource_type": "log", |
| | | "run": 21, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00021.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903982", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "97eab2ba-f863-46ca-aece-01eac2e885bb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318527", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00021.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 194, |
| | | "resource_type": "energy", |
| | | "run": 21, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00021.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903983", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "b9a0215f-a15b-44f7-bd93-27f75c17a78a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318640", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00021.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 195, |
| | | "resource_type": "topology", |
| | | "run": 21, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00021.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903984", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ab6ed5f6-6e01-44ea-a7ef-63df07057411", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318747", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00021.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 196, |
| | | "resource_type": "final-coordinates", |
| | | "run": 21, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00021.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903986", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ee948ac4-e411-44bb-b02a-1b627c9a08a3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318853", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00021.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 197, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 21, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00021.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903987", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "f0943ab2-42cf-4a0a-a04e-92697168158f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.318959", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00022.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 198, |
| | | "resource_type": "control", |
| | | "run": 22, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00022.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903989", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "88b9caf8-3dc9-486e-9932-77d139153280", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319065", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00022.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 199, |
| | | "resource_type": "forcefield-files", |
| | | "run": 22, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00022.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903990", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "6e963112-b45f-41f8-b3a6-315fb2e9bd52", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319181", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00022.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 200, |
| | | "resource_type": "trajectory", |
| | | "run": 22, |
| | | "size": 34076236, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00022.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903992", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4bc9edbd-358f-4fc5-95ec-ca80621aa6cb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319290", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00022.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 201, |
| | | "resource_type": "input-coordinates", |
| | | "run": 22, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00022.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903993", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "9a6c5701-892b-43a4-a2cf-30ca180083ca", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319398", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00022.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 202, |
| | | "resource_type": "log", |
| | | "run": 22, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00022.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903994", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "474d9bd0-96f0-4e96-b93e-ddd2875179c5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319505", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00022.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 203, |
| | | "resource_type": "energy", |
| | | "run": 22, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00022.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903996", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "6e1f1e28-349d-4e81-b335-a576fd753bf5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319619", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00022.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 204, |
| | | "resource_type": "topology", |
| | | "run": 22, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00022.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903997", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "082a046c-72dc-42ee-bc4c-171145354ffb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319727", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00022.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 205, |
| | | "resource_type": "final-coordinates", |
| | | "run": 22, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00022.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903998", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1e3c505b-bc80-41bb-bb3a-3037336d2203", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319833", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00022.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 206, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 22, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00022.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.903999", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "49a83bda-09bb-4d6f-b398-2d3b0fb7a90b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.319938", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00023.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 207, |
| | | "resource_type": "control", |
| | | "run": 23, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00023.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904001", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "0b0ea9af-918a-4563-b5aa-dbf7da5d8999", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320045", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00023.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 208, |
| | | "resource_type": "forcefield-files", |
| | | "run": 23, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00023.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904002", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "b37099ba-47e7-4983-a723-81b3378114f0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320151", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00023.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 209, |
| | | "resource_type": "trajectory", |
| | | "run": 23, |
| | | "size": 34073596, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00023.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904003", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e44f7ffd-b06c-47f5-b09e-c991c0aba321", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320257", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00023.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 210, |
| | | "resource_type": "input-coordinates", |
| | | "run": 23, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00023.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904005", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "38e150a6-625d-4fea-9abe-f7034cd46188", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320364", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00023.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 211, |
| | | "resource_type": "log", |
| | | "run": 23, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00023.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904006", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "f5294425-ed10-4a95-8727-6cc8be2f6bde", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320470", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00023.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 212, |
| | | "resource_type": "energy", |
| | | "run": 23, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00023.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904007", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "56c12aa6-ac6d-4724-b8ac-f7207fb77b5f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320576", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00023.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 213, |
| | | "resource_type": "topology", |
| | | "run": 23, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00023.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904009", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9dbe1f57-68bf-4286-9cfb-5dc508cc475e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320681", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00023.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 214, |
| | | "resource_type": "final-coordinates", |
| | | "run": 23, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00023.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904010", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "674a3f32-6a12-4459-8b05-b3c451010873", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320787", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00023.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 215, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 23, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00023.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904011", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "286b7ab1-4ed9-440b-baa2-fc3885ad594a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320893", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00024.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 216, |
| | | "resource_type": "control", |
| | | "run": 24, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00024.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904013", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "8c1dec0e-0beb-429c-b8d4-2b214d26ec40", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.320999", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00024.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 217, |
| | | "resource_type": "forcefield-files", |
| | | "run": 24, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00024.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904014", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "e42f0f46-ac28-4341-9f03-2d820e09046d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321105", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00024.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 218, |
| | | "resource_type": "trajectory", |
| | | "run": 24, |
| | | "size": 34075816, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00024.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904015", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b82e4f51-f1c5-412d-8855-4b7dcce8c303", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321211", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00024.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 219, |
| | | "resource_type": "input-coordinates", |
| | | "run": 24, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00024.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904016", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "83e10c93-17f3-4051-bfc6-d61741d58d8a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321316", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00024.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 220, |
| | | "resource_type": "log", |
| | | "run": 24, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00024.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904018", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "2cee0fb7-066b-4c96-9472-e3eab40834e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321422", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00024.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 221, |
| | | "resource_type": "energy", |
| | | "run": 24, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00024.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904019", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "d32a9a60-e42c-406a-9854-3c60b602c2e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321529", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00024.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 222, |
| | | "resource_type": "topology", |
| | | "run": 24, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00024.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904020", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ee0b8025-0666-4580-951f-14c301dda86a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321634", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00024.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 223, |
| | | "resource_type": "final-coordinates", |
| | | "run": 24, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00024.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904022", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "79b9fd31-23c6-40ba-af3f-ddc977d21c74", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321740", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00024.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 224, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 24, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00024.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904023", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "96c4d0a7-be68-4812-988a-1ddd484138aa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321846", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00025.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 225, |
| | | "resource_type": "control", |
| | | "run": 25, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00025.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904024", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "e7d95a89-e9b9-42c5-8122-9deb7653565a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.321951", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00025.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 226, |
| | | "resource_type": "forcefield-files", |
| | | "run": 25, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00025.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904025", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "a39ce542-3667-4779-ada7-ae8ca1234545", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322057", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00025.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 227, |
| | | "resource_type": "trajectory", |
| | | "run": 25, |
| | | "size": 34076616, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00025.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904027", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "03337ce5-6aed-49de-8d8d-ee25598dbf7b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322162", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00025.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 228, |
| | | "resource_type": "input-coordinates", |
| | | "run": 25, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00025.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904028", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "dd7cf7d6-769f-4ece-b3d2-60b306beda76", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322270", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00025.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 229, |
| | | "resource_type": "log", |
| | | "run": 25, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00025.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904029", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "47ead335-df30-485e-a30c-cbb647545009", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322376", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00025.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 230, |
| | | "resource_type": "energy", |
| | | "run": 25, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00025.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904031", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "64fad0e7-0809-4138-8ad3-8d8549df40a8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322482", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00025.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 231, |
| | | "resource_type": "topology", |
| | | "run": 25, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00025.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904032", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d875538a-31b4-4d15-a043-abacfabc179f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322588", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00025.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 232, |
| | | "resource_type": "final-coordinates", |
| | | "run": 25, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00025.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904033", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "3fd4af69-fb87-4527-8953-9957a973f1f6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322699", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00025.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 233, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 25, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00025.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904034", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "d75fc048-1a6f-4c0f-ab8a-2e19f53d6258", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322806", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00026.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 234, |
| | | "resource_type": "control", |
| | | "run": 26, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00026.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904036", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "8ba937dd-c8f8-4961-90c2-919091432216", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.322912", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00026.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 235, |
| | | "resource_type": "forcefield-files", |
| | | "run": 26, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00026.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904037", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "a007eb15-a926-49b3-bb8d-5b57feab3c79", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323019", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00026.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 236, |
| | | "resource_type": "trajectory", |
| | | "run": 26, |
| | | "size": 34076144, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00026.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904038", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "af416562-a654-4b1a-a9a7-bbede4f586be", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323148", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00026.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 237, |
| | | "resource_type": "input-coordinates", |
| | | "run": 26, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00026.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904040", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "0b66e44c-842a-41a6-94d9-0bc94e5892c0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323259", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00026.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 238, |
| | | "resource_type": "log", |
| | | "run": 26, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00026.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904041", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "35633726-43ae-49f7-870e-be397e85eaa2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323367", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00026.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 239, |
| | | "resource_type": "energy", |
| | | "run": 26, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00026.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904042", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "e3110e7d-15ca-4552-ace4-754f7e2857f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323475", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00026.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 240, |
| | | "resource_type": "topology", |
| | | "run": 26, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00026.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904043", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "85727d2d-55be-4b9f-b15c-a75eb11974c7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323581", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00026.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 241, |
| | | "resource_type": "final-coordinates", |
| | | "run": 26, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00026.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904045", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "0d2ddb39-0af8-4a13-ace3-1273b706ff01", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323688", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00026.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 242, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 26, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00026.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904046", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "e185757c-a20c-4cf6-b560-fca4c5ade7f2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323794", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00027.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 243, |
| | | "resource_type": "control", |
| | | "run": 27, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00027.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904047", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "f699343f-4dff-4c78-bbdb-186394cb8e0b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.323899", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00027.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 244, |
| | | "resource_type": "forcefield-files", |
| | | "run": 27, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00027.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904049", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "53a1d8f9-ea6a-4aa7-befc-b4de97d59590", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324069", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00027.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 245, |
| | | "resource_type": "trajectory", |
| | | "run": 27, |
| | | "size": 34075844, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00027.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904050", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "f9e13995-241e-4a7d-ac8c-3b3b21c23fc4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324177", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00027.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 246, |
| | | "resource_type": "input-coordinates", |
| | | "run": 27, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00027.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904051", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "b4ef6f13-2dd7-4ed9-ad88-173bffbec3e9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324284", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00027.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 247, |
| | | "resource_type": "log", |
| | | "run": 27, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00027.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904053", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "31cdd156-61bd-4f93-833a-25caaae78e25", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324390", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00027.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 248, |
| | | "resource_type": "energy", |
| | | "run": 27, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00027.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904054", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "dcb58083-fe9d-44e8-a10d-3fffadf8daf2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324496", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00027.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 249, |
| | | "resource_type": "topology", |
| | | "run": 27, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00027.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904055", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "55bf5e14-cf0b-438f-8f35-b7e1309b2156", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324603", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00027.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 250, |
| | | "resource_type": "final-coordinates", |
| | | "run": 27, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00027.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904056", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "90c5f8a3-1ed6-4211-b3a7-9d137817a5fd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324710", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00027.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 251, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 27, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00027.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904058", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "66dea936-1a57-4c85-a485-8269d714d75e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324816", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00028.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 252, |
| | | "resource_type": "control", |
| | | "run": 28, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00028.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904059", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "f9937c13-0412-4c02-9185-cab77c171772", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.324922", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00028.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 253, |
| | | "resource_type": "forcefield-files", |
| | | "run": 28, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00028.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904061", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "4c4cdfa8-b814-4e94-bc22-1e8b318df1e0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325029", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00028.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 254, |
| | | "resource_type": "trajectory", |
| | | "run": 28, |
| | | "size": 34079344, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00028.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904062", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1ea781ee-103e-488b-b468-f6eba859d45e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325135", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00028.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 255, |
| | | "resource_type": "input-coordinates", |
| | | "run": 28, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00028.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904063", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "2ebbeee4-f7f0-47bc-9c03-65af60dd7291", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325241", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00028.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 256, |
| | | "resource_type": "log", |
| | | "run": 28, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00028.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904065", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "785eb723-09aa-4fb3-a2cb-ab86c6f6bde5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325349", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00028.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 257, |
| | | "resource_type": "energy", |
| | | "run": 28, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00028.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904066", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "65f43ffe-2b06-4a50-9294-d4f90ce938c3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325456", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00028.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 258, |
| | | "resource_type": "topology", |
| | | "run": 28, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00028.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904067", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "dc737fe9-4742-4bfb-80c7-6acdf31fc22c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325564", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00028.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 259, |
| | | "resource_type": "final-coordinates", |
| | | "run": 28, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00028.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904068", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e924bfa0-35df-4a4a-9cae-830589ff7b01", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325675", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00028.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 260, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 28, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00028.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904070", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "b0c050f4-9cd4-462b-af4f-12b5d2cda13a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325783", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00029.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 261, |
| | | "resource_type": "control", |
| | | "run": 29, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00029.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904071", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "566b66e3-1933-4cb5-a077-be196cae9180", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325888", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00029.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 262, |
| | | "resource_type": "forcefield-files", |
| | | "run": 29, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00029.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904073", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "c7be5991-829b-4ea0-9ade-c3330e6b83c2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.325995", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00029.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 263, |
| | | "resource_type": "trajectory", |
| | | "run": 29, |
| | | "size": 34081128, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00029.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904074", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "48015930-b4e4-40ed-b448-1a943bde685a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326101", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00029.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 264, |
| | | "resource_type": "input-coordinates", |
| | | "run": 29, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00029.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904075", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "bb72ae3e-c351-48e6-ab50-2cd4b350c246", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326207", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00029.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 265, |
| | | "resource_type": "log", |
| | | "run": 29, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00029.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904076", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "2a0dba20-5086-4fdf-978b-3d1686c420f5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326312", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00029.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 266, |
| | | "resource_type": "energy", |
| | | "run": 29, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00029.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904078", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "023a8f11-1d14-49af-9421-b7a499b5d833", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326419", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00029.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 267, |
| | | "resource_type": "topology", |
| | | "run": 29, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00029.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904079", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4005f464-5518-49fd-9549-2466823205e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326524", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00029.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 268, |
| | | "resource_type": "final-coordinates", |
| | | "run": 29, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00029.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904080", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ca597180-b867-4436-aba9-a7e81a2eb8f8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326629", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00029.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 269, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 29, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00029.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904082", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "9cbdf566-c4a9-4b3b-99fe-735c9983c11e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326737", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00030.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 270, |
| | | "resource_type": "control", |
| | | "run": 30, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00030.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904083", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "952e4e5f-08f4-40ac-9df5-cc52b909b9fb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326843", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00030.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 271, |
| | | "resource_type": "forcefield-files", |
| | | "run": 30, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00030.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904084", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "24ece961-1e5d-48c5-8c7b-1df8865383a0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.326948", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00030.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 272, |
| | | "resource_type": "trajectory", |
| | | "run": 30, |
| | | "size": 34073616, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00030.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904086", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "355500ea-1af7-4881-b90c-13c96a41ab14", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327054", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00030.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 273, |
| | | "resource_type": "input-coordinates", |
| | | "run": 30, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00030.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904087", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "f298162b-0d56-4210-9135-a9628f0b2b25", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327171", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00030.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 274, |
| | | "resource_type": "log", |
| | | "run": 30, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00030.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904088", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "17a38e04-a487-47ea-b56d-60399613a077", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327278", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00030.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 275, |
| | | "resource_type": "energy", |
| | | "run": 30, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00030.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904090", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "26c43a34-5b10-402d-80a0-11bea65bc773", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327384", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00030.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 276, |
| | | "resource_type": "topology", |
| | | "run": 30, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00030.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904091", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "304345fa-fa46-4eef-a040-10769344049a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327491", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00030.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 277, |
| | | "resource_type": "final-coordinates", |
| | | "run": 30, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00030.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904092", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "81ff5466-2422-4e0a-b361-2bbd32ca5b36", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327598", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00030.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 278, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 30, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00030.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904093", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "3178385e-b98f-4804-97c2-729fc300b291", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327703", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00031.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 279, |
| | | "resource_type": "control", |
| | | "run": 31, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00031.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904095", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "c6a37255-c125-45f4-92ed-2c76daa6e793", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327809", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00031.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 280, |
| | | "resource_type": "forcefield-files", |
| | | "run": 31, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00031.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904096", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "37f67365-7e3d-42d5-91e7-43961c6482e8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.327914", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00031.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 281, |
| | | "resource_type": "trajectory", |
| | | "run": 31, |
| | | "size": 34076812, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00031.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904097", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "05006f98-c25f-44ff-ad38-ebc636541fb4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328019", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00031.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 282, |
| | | "resource_type": "input-coordinates", |
| | | "run": 31, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00031.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904099", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "cb0df169-7433-42f1-bd7c-c30134a83ba5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328125", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00031.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 283, |
| | | "resource_type": "log", |
| | | "run": 31, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00031.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904100", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "bfa65031-3746-4050-a086-c50b3ae9cb30", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328231", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00031.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 284, |
| | | "resource_type": "energy", |
| | | "run": 31, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00031.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904101", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "ae4eac32-b318-4639-8160-5ebb2fb9c0ba", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328338", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00031.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 285, |
| | | "resource_type": "topology", |
| | | "run": 31, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00031.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904103", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4d1b4ae6-cc50-4280-9a7f-5cf19617853b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328444", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00031.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 286, |
| | | "resource_type": "final-coordinates", |
| | | "run": 31, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00031.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904104", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "bde8f870-0f92-449e-a219-165b096c411e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328550", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00031.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 287, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 31, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00031.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904105", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "3ab8b53b-85dd-4fbd-b870-73d5491c631f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328661", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00032.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 288, |
| | | "resource_type": "control", |
| | | "run": 32, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00032.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904106", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "a12916b5-96f6-4e5a-8d8c-86f9988175aa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328767", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00032.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 289, |
| | | "resource_type": "forcefield-files", |
| | | "run": 32, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00032.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904108", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "8e73a73c-9799-49aa-be57-2f7afdc04931", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328874", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00032.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 290, |
| | | "resource_type": "trajectory", |
| | | "run": 32, |
| | | "size": 34074688, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00032.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904109", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d63e250a-5d4f-4610-bbc5-dfe808df6d64", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.328980", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00032.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 291, |
| | | "resource_type": "input-coordinates", |
| | | "run": 32, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00032.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904110", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "22793d32-404b-4ee1-a4ce-ca8a80fe535d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329086", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00032.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 292, |
| | | "resource_type": "log", |
| | | "run": 32, |
| | | "size": 39785, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00032.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904112", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "0bcc0fbc-5667-45a8-b44a-21284b6c5f24", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329192", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00032.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 293, |
| | | "resource_type": "energy", |
| | | "run": 32, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00032.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904113", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "8fe05a02-385d-4814-b784-ed5f4da96037", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329298", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00032.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 294, |
| | | "resource_type": "topology", |
| | | "run": 32, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00032.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904114", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "53860b16-2ec7-4e17-b36f-700bfb5783ff", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329403", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00032.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 295, |
| | | "resource_type": "final-coordinates", |
| | | "run": 32, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00032.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904116", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "06876336-7552-4099-99a8-2af312673fa5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329510", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00032.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 296, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 32, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00032.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904117", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "143c9cf2-9a75-4d2a-9ba8-c25381f9ee69", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329621", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00033.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 297, |
| | | "resource_type": "control", |
| | | "run": 33, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00033.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904118", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "e5b6da43-a907-4bf3-a625-cbbb43e412fa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329729", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00033.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 298, |
| | | "resource_type": "forcefield-files", |
| | | "run": 33, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00033.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904120", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "998f0c25-0f56-48ad-8a0c-b2a43e47c5a1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329836", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00033.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 299, |
| | | "resource_type": "trajectory", |
| | | "run": 33, |
| | | "size": 34076232, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00033.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904121", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "85f1c225-165e-458d-8858-dfe922e39c55", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.329942", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00033.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 300, |
| | | "resource_type": "input-coordinates", |
| | | "run": 33, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00033.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904123", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "65e56f1c-abfc-4ff3-bfbe-2fd115acca42", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330048", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00033.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 301, |
| | | "resource_type": "log", |
| | | "run": 33, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00033.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904124", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "46c6ed43-9750-4450-847d-f9774cc3920e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330155", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00033.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 302, |
| | | "resource_type": "energy", |
| | | "run": 33, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00033.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904125", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "de1dd06f-f5be-479a-a873-7147e724429c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330260", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00033.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 303, |
| | | "resource_type": "topology", |
| | | "run": 33, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00033.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904127", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "0372d124-e46d-43f5-9815-bd47837f27dc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330367", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00033.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 304, |
| | | "resource_type": "final-coordinates", |
| | | "run": 33, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00033.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904128", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "93660887-6890-4917-8276-a0cc59113112", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330473", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00033.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 305, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 33, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00033.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904129", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "d083ee13-684e-4421-a7c2-12e18a7875e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330579", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00034.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 306, |
| | | "resource_type": "control", |
| | | "run": 34, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00034.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904131", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "f52300c7-aa31-44b7-b0ab-34cb20e7db76", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330684", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00034.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 307, |
| | | "resource_type": "forcefield-files", |
| | | "run": 34, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00034.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904132", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "4599143a-202a-44ae-8989-0eddf3698cd1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330790", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00034.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 308, |
| | | "resource_type": "trajectory", |
| | | "run": 34, |
| | | "size": 34073592, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00034.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904133", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "8b8200b5-3349-4d21-8f63-0e59f7200e7a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.330896", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00034.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 309, |
| | | "resource_type": "input-coordinates", |
| | | "run": 34, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00034.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904135", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "1cd5e99a-8694-432a-83ca-32cc0211ac33", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331003", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00034.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 310, |
| | | "resource_type": "log", |
| | | "run": 34, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00034.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904136", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "4b7c9c27-fea4-4318-9911-7ed42ce8be71", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331119", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00034.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 311, |
| | | "resource_type": "energy", |
| | | "run": 34, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00034.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904137", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "a3c0f4b9-98b3-4839-8a6f-bfc7b101edc1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331229", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00034.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 312, |
| | | "resource_type": "topology", |
| | | "run": 34, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00034.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904139", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9afd4356-c7a3-42ef-a9be-05f295962d81", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331337", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00034.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 313, |
| | | "resource_type": "final-coordinates", |
| | | "run": 34, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00034.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904140", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "610fef57-0522-4a0f-8995-4785fd774844", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331444", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00034.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 314, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 34, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00034.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904141", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "0ee34254-08b3-4ce4-9296-7e3ebc1f48bf", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331550", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00035.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 315, |
| | | "resource_type": "control", |
| | | "run": 35, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00035.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904142", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "be9831ea-5e89-4b22-b80b-8328734cf9bb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331655", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00035.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 316, |
| | | "resource_type": "forcefield-files", |
| | | "run": 35, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00035.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904144", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "fdd74b24-1fc9-4581-8721-90bff123201b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331762", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00035.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 317, |
| | | "resource_type": "trajectory", |
| | | "run": 35, |
| | | "size": 34072288, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00035.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904145", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c0ace1ae-634d-4cb6-982d-36161149fe35", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331868", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00035.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 318, |
| | | "resource_type": "input-coordinates", |
| | | "run": 35, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00035.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904146", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "817311c4-8c40-47fa-990a-6560364dca3d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.331974", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00035.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 319, |
| | | "resource_type": "log", |
| | | "run": 35, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00035.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904148", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "f8e500d2-0617-4a93-98f1-df91deb1039c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332080", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00035.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 320, |
| | | "resource_type": "energy", |
| | | "run": 35, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00035.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904149", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "458a5bd0-ffb5-4914-803f-b0334df9c2ad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332187", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00035.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 321, |
| | | "resource_type": "topology", |
| | | "run": 35, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00035.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904150", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "2fb140bf-2081-46c1-8a54-3f1aafedd0bb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332348", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00035.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 322, |
| | | "resource_type": "final-coordinates", |
| | | "run": 35, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00035.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904151", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7e204d04-ef60-4aa0-a2c9-307dda030bee", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332456", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00035.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 323, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 35, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00035.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904153", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "4f1ea4fa-1934-47cc-aa3b-cf8615bedcc0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332564", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00036.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 324, |
| | | "resource_type": "control", |
| | | "run": 36, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00036.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904154", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "0e713c23-e938-48b5-9fce-f1e8faf46e88", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332677", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00036.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 325, |
| | | "resource_type": "forcefield-files", |
| | | "run": 36, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00036.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904155", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "5561fb4b-ab63-4572-80bf-c6b58cc8106d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332785", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00036.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 326, |
| | | "resource_type": "trajectory", |
| | | "run": 36, |
| | | "size": 34071304, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00036.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904157", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a8c27b43-20ef-4cb6-8e42-e018748cd4eb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.332892", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00036.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 327, |
| | | "resource_type": "input-coordinates", |
| | | "run": 36, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00036.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904158", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "654c4653-323c-41de-ae92-25a70b01aed4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333000", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00036.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 328, |
| | | "resource_type": "log", |
| | | "run": 36, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00036.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904159", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "a6d62535-e8be-43f1-9bf3-45358c6eeea4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333108", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00036.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 329, |
| | | "resource_type": "energy", |
| | | "run": 36, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00036.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904160", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "6261875e-9ef3-42b2-bad6-14cb7e89e991", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333216", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00036.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 330, |
| | | "resource_type": "topology", |
| | | "run": 36, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00036.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904162", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "8f5b65a9-549b-4488-8e6c-b9c3ebb1fa7d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333323", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00036.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 331, |
| | | "resource_type": "final-coordinates", |
| | | "run": 36, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00036.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904163", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c735e050-1d13-46aa-8a86-07d793a41577", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333429", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00036.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 332, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 36, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00036.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904164", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "88e72260-63c2-4c58-b3b6-2cfc49e829d5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333535", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00037.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 333, |
| | | "resource_type": "control", |
| | | "run": 37, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00037.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904166", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "370546ba-ab65-48fe-b0a3-b277845c1261", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333641", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00037.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 334, |
| | | "resource_type": "forcefield-files", |
| | | "run": 37, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00037.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904167", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "696cc1db-feed-4091-a2cf-d3ef43e21d5b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333747", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00037.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 335, |
| | | "resource_type": "trajectory", |
| | | "run": 37, |
| | | "size": 34071564, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00037.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904168", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "366bfec1-1754-4b82-884f-f4963bfa1eda", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333853", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00037.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 336, |
| | | "resource_type": "input-coordinates", |
| | | "run": 37, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00037.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904169", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "7e2c017e-0623-4489-91c9-7de5b62138e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.333960", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00037.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 337, |
| | | "resource_type": "log", |
| | | "run": 37, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00037.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904171", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "fcdfff02-34dd-4e7a-afc2-d00e6c87041a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334066", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00037.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 338, |
| | | "resource_type": "energy", |
| | | "run": 37, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00037.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904172", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "69388561-202a-4a4d-ba59-b7219a2ebb31", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334173", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00037.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 339, |
| | | "resource_type": "topology", |
| | | "run": 37, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00037.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904173", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "354df9d9-e1ce-4982-b303-54460edcac15", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334279", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00037.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 340, |
| | | "resource_type": "final-coordinates", |
| | | "run": 37, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00037.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904175", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "02a839ab-522e-4c66-a4b5-09aab245d3f5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334388", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00037.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 341, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 37, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00037.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904176", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "3ea0b673-adf5-4bfb-90a5-43f18b557c57", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334501", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00038.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 342, |
| | | "resource_type": "control", |
| | | "run": 38, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00038.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904177", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "1a2e9b3f-b980-4463-8ce1-345cf9086337", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334609", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00038.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 343, |
| | | "resource_type": "forcefield-files", |
| | | "run": 38, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00038.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904178", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "bf28d9f5-261f-4325-a131-b44b1baf50f7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334716", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00038.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 344, |
| | | "resource_type": "trajectory", |
| | | "run": 38, |
| | | "size": 34074108, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00038.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904180", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4ed62d0b-70d6-4b22-bc88-a5211bb44230", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334822", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00038.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 345, |
| | | "resource_type": "input-coordinates", |
| | | "run": 38, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00038.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904181", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "11154285-8980-4142-915a-9fbd6ac5074c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.334929", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00038.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 346, |
| | | "resource_type": "log", |
| | | "run": 38, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00038.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904182", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "3fa20081-459c-428b-8acc-a10e63459f8e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335036", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00038.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 347, |
| | | "resource_type": "energy", |
| | | "run": 38, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00038.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904183", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "559c94c3-1244-4fef-94f2-06ac3ca77766", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335152", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00038.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 348, |
| | | "resource_type": "topology", |
| | | "run": 38, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00038.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904185", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "aa004698-3c9b-430a-af23-45e753df29ab", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335260", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00038.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 349, |
| | | "resource_type": "final-coordinates", |
| | | "run": 38, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00038.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904186", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fd821b41-afba-4c9d-973c-85a4b9496999", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335366", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00038.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 350, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 38, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00038.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904188", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "8f3173ea-1a18-452b-9722-55b4321d7f09", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335473", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00039.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 351, |
| | | "resource_type": "control", |
| | | "run": 39, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00039.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904189", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "60f9551b-4fb8-4691-a96d-b513dfbdaaa6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335579", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00039.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 352, |
| | | "resource_type": "forcefield-files", |
| | | "run": 39, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00039.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904190", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "064230ff-ec7d-47d7-bf7c-5d7e7b139fe8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335690", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00039.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 353, |
| | | "resource_type": "trajectory", |
| | | "run": 39, |
| | | "size": 34073144, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00039.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904192", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "907b16ae-1184-40e4-8e48-414e77b66f0d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335797", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00039.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 354, |
| | | "resource_type": "input-coordinates", |
| | | "run": 39, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00039.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904193", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "0f0f7c1f-df67-4d7a-b468-838a83c3a5f6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.335905", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00039.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 355, |
| | | "resource_type": "log", |
| | | "run": 39, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00039.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904194", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "92ff27af-0eab-40d0-99f3-7475a9906cca", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336012", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00039.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 356, |
| | | "resource_type": "energy", |
| | | "run": 39, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00039.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904196", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "0f523796-41c4-47c0-a721-befdb61ac048", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336118", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00039.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 357, |
| | | "resource_type": "topology", |
| | | "run": 39, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00039.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904197", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7facc0cf-9e5d-4a3f-aa64-1061757641e7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336224", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00039.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 358, |
| | | "resource_type": "final-coordinates", |
| | | "run": 39, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00039.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904198", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c853d80c-12e2-4f0f-9ae8-d62e9ea532af", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336330", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00039.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 359, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 39, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00039.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904200", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "620a5e60-641d-418d-8ef2-f3d574b0ea6a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336435", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00040.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 360, |
| | | "resource_type": "control", |
| | | "run": 40, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00040.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904201", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "9d90fdc4-01e7-4a12-b15f-4cf914ed4da5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336540", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00040.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 361, |
| | | "resource_type": "forcefield-files", |
| | | "run": 40, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00040.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904202", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "3b3d0cef-a759-425c-93fb-071ad5af09bb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336645", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00040.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 362, |
| | | "resource_type": "trajectory", |
| | | "run": 40, |
| | | "size": 34073504, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00040.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904204", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6bb6be47-523c-4cf1-bba8-e53d35ce1705", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336751", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00040.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 363, |
| | | "resource_type": "input-coordinates", |
| | | "run": 40, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00040.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904205", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "410a636a-6727-4b6c-948f-e62b103d6565", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336857", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00040.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 364, |
| | | "resource_type": "log", |
| | | "run": 40, |
| | | "size": 39780, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00040.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904206", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "7efe90a5-c42b-441a-9c35-aa541ebab54c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.336964", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00040.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 365, |
| | | "resource_type": "energy", |
| | | "run": 40, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00040.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904207", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "ac3e1774-71e0-4689-b10a-508d38525ef3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337070", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00040.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 366, |
| | | "resource_type": "topology", |
| | | "run": 40, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00040.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904209", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d703f780-7622-469c-9353-e7e6bc03c2ac", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337176", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00040.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 367, |
| | | "resource_type": "final-coordinates", |
| | | "run": 40, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00040.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904210", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "47f1eac6-11ec-4dd7-b9c5-903aa92a3b7e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337283", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00040.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 368, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 40, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00040.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904211", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "b690a3ab-91cb-4bdb-b41a-389a0ccad810", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337390", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00041.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 369, |
| | | "resource_type": "control", |
| | | "run": 41, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00041.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904213", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "3ab98a25-7203-4226-a977-c96025f3e5bb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337496", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00041.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 370, |
| | | "resource_type": "forcefield-files", |
| | | "run": 41, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00041.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904214", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "429c7ef0-4035-47b1-a9bd-23d2d2fe97a3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337603", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00041.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 371, |
| | | "resource_type": "trajectory", |
| | | "run": 41, |
| | | "size": 34075592, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00041.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904215", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "842dcbc0-03df-4400-8147-cbe906e2d9de", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337709", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00041.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 372, |
| | | "resource_type": "input-coordinates", |
| | | "run": 41, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00041.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904217", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "25d55ec7-8cbe-49d0-9c0d-61aca240e32a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337814", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00041.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 373, |
| | | "resource_type": "log", |
| | | "run": 41, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00041.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904218", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "7e0082c0-cd45-4845-a26c-697b2737e0f3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.337921", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00041.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 374, |
| | | "resource_type": "energy", |
| | | "run": 41, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00041.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904219", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "1573c21d-db5a-4152-83f1-034c2e001b67", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338027", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00041.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 375, |
| | | "resource_type": "topology", |
| | | "run": 41, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00041.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904221", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "89bae392-de4e-4b68-b8ec-dcb928862f79", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338133", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00041.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 376, |
| | | "resource_type": "final-coordinates", |
| | | "run": 41, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00041.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904222", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "51e86103-0348-4eb6-9fb7-da403a280656", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338239", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00041.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 377, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 41, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00041.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904223", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "19fda690-a659-4436-b3df-20da8948fa57", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338345", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00042.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 378, |
| | | "resource_type": "control", |
| | | "run": 42, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00042.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904225", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "f7f200cb-b73d-4ac8-a9b4-f34c1f7b82c9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338451", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00042.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 379, |
| | | "resource_type": "forcefield-files", |
| | | "run": 42, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00042.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904226", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "d18076e3-318b-44e9-b510-84d2e57e700d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338557", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00042.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 380, |
| | | "resource_type": "trajectory", |
| | | "run": 42, |
| | | "size": 34073500, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00042.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904227", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6d51e6bf-6b4b-4cd9-80d4-83423bfe3d07", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338668", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00042.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 381, |
| | | "resource_type": "input-coordinates", |
| | | "run": 42, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00042.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904229", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "f0d14cb6-d544-4a3f-8a28-21f66ae68364", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338775", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00042.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 382, |
| | | "resource_type": "log", |
| | | "run": 42, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00042.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904230", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "18eb9f20-457e-469e-b19e-0d88a1ad2b65", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338881", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00042.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 383, |
| | | "resource_type": "energy", |
| | | "run": 42, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00042.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904231", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "b24d3443-dd43-4f48-acc1-fdcfa26f7ec7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.338987", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00042.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 384, |
| | | "resource_type": "topology", |
| | | "run": 42, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00042.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904233", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "02a34a6c-4b84-4e25-b52b-f6abb56011eb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339103", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00042.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 385, |
| | | "resource_type": "final-coordinates", |
| | | "run": 42, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00042.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904234", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "223db02e-e429-4f51-93eb-97dc90323ecf", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339211", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00042.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 386, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 42, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00042.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904235", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "27ca1546-2f9c-406b-94eb-bffd1847b1a4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339318", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00043.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 387, |
| | | "resource_type": "control", |
| | | "run": 43, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00043.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904236", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "4b04982c-d1e3-497e-aad8-2d83acaa3a53", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339424", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00043.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 388, |
| | | "resource_type": "forcefield-files", |
| | | "run": 43, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00043.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904238", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "b8f43710-f397-4b01-85ce-5a696868e801", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339529", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00043.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 389, |
| | | "resource_type": "trajectory", |
| | | "run": 43, |
| | | "size": 34075268, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00043.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904239", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c8972cb1-e251-4bbf-8eb2-77cd3d55525e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339642", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00043.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 390, |
| | | "resource_type": "input-coordinates", |
| | | "run": 43, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00043.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904240", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "b6bc72cc-6f18-4beb-aa0d-559447f57458", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339749", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00043.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 391, |
| | | "resource_type": "log", |
| | | "run": 43, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00043.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904242", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "22567d1f-da60-491d-ba17-d58ef3fd81f2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339856", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00043.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 392, |
| | | "resource_type": "energy", |
| | | "run": 43, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00043.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904243", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "16b8269d-c332-4f07-a288-79576dbcfb2b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.339963", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00043.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 393, |
| | | "resource_type": "topology", |
| | | "run": 43, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00043.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904244", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9665fb6e-d194-43b3-8211-3cce9f3be0d7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340069", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00043.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 394, |
| | | "resource_type": "final-coordinates", |
| | | "run": 43, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00043.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904246", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "18344efa-2747-4633-b212-5ba106e942fa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340176", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00043.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 395, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 43, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00043.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904247", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "d6cc887e-6d42-4ba7-878f-f1476a2d5331", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340283", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00044.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 396, |
| | | "resource_type": "control", |
| | | "run": 44, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00044.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904248", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "ddfc2001-c432-46ee-8a8b-087b111163b3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340390", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00044.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 397, |
| | | "resource_type": "forcefield-files", |
| | | "run": 44, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00044.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904249", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "f968d941-6f0b-4c39-8258-bb2033af314e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340498", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00044.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 398, |
| | | "resource_type": "trajectory", |
| | | "run": 44, |
| | | "size": 34074188, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00044.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904251", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "50792c06-a71f-406d-b5ec-9dcbbfedd3c3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340665", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00044.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 399, |
| | | "resource_type": "input-coordinates", |
| | | "run": 44, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00044.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904252", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "b0f80f9b-3449-4d9f-8e88-4de360ec59ef", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340774", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00044.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 400, |
| | | "resource_type": "log", |
| | | "run": 44, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00044.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904253", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "b986e45e-d320-47c0-a583-3444fae4d5c0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340882", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00044.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 401, |
| | | "resource_type": "energy", |
| | | "run": 44, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00044.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904255", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "cc6f5b4f-1837-48e6-a0a7-5d4d63e83b25", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.340989", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00044.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 402, |
| | | "resource_type": "topology", |
| | | "run": 44, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00044.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904256", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "48f02110-2de1-4da1-8129-7cfc4b4091f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341098", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00044.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 403, |
| | | "resource_type": "final-coordinates", |
| | | "run": 44, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00044.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904257", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ca2d808a-5bef-475f-b04c-2b73c4d14edb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341205", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00044.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 404, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 44, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00044.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904259", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "524769dd-257e-4940-b1fe-64254be1b676", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341312", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00045.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 405, |
| | | "resource_type": "control", |
| | | "run": 45, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00045.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904260", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "7a240704-0710-4345-abf8-51176a1951ad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341418", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00045.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 406, |
| | | "resource_type": "forcefield-files", |
| | | "run": 45, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00045.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904261", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "b6f91fd1-d174-46bd-bdc0-ad52be2905d7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341525", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00045.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 407, |
| | | "resource_type": "trajectory", |
| | | "run": 45, |
| | | "size": 34073680, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00045.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904263", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1c8f34d9-8cd8-4680-aba1-052127103833", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341631", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00045.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 408, |
| | | "resource_type": "input-coordinates", |
| | | "run": 45, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00045.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904264", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "d36739cc-384e-4f21-9574-f64b98dfadd5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341737", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00045.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 409, |
| | | "resource_type": "log", |
| | | "run": 45, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00045.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904265", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "1b44702d-35af-4bb8-9c86-d0dc9b34563b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341844", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00045.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 410, |
| | | "resource_type": "energy", |
| | | "run": 45, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00045.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904267", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "79883c1e-30b1-4149-910b-c212c69e58f0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.341949", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00045.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 411, |
| | | "resource_type": "topology", |
| | | "run": 45, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00045.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904268", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1e304fb5-086f-41f2-9350-c588093cc773", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342056", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00045.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 412, |
| | | "resource_type": "final-coordinates", |
| | | "run": 45, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00045.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904269", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a86e7ed2-eec7-4e57-b6c0-8696dacc2971", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342163", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00045.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 413, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 45, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00045.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904271", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "6c247100-0c3a-41bd-adea-75e1dfa812ea", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342271", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00046.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 414, |
| | | "resource_type": "control", |
| | | "run": 46, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00046.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904272", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "08834c88-45b9-4a46-a44d-a79815b19f1f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342378", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00046.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 415, |
| | | "resource_type": "forcefield-files", |
| | | "run": 46, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00046.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904273", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "39f22fa5-9613-41a6-af87-101d184a2c80", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342485", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00046.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 416, |
| | | "resource_type": "trajectory", |
| | | "run": 46, |
| | | "size": 34076988, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00046.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904275", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d323488b-cad3-4350-bc09-6b961528e8a8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342591", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00046.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 417, |
| | | "resource_type": "input-coordinates", |
| | | "run": 46, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00046.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904276", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "a6e18aa6-2c66-4735-827a-9dd169864128", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342704", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00046.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 418, |
| | | "resource_type": "log", |
| | | "run": 46, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00046.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904277", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "5ed290f5-3040-46d0-85c3-fec396f20ea1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342810", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00046.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 419, |
| | | "resource_type": "energy", |
| | | "run": 46, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00046.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904279", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "3c586ac4-68cd-430f-ae57-eebd411f0741", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.342916", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00046.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 420, |
| | | "resource_type": "topology", |
| | | "run": 46, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00046.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904280", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b830ec0d-7225-4a6f-aff4-22c4a67f8248", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343024", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00046.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 421, |
| | | "resource_type": "final-coordinates", |
| | | "run": 46, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00046.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904281", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fab13aef-5274-4475-a2ed-72a7411d1393", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343140", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00046.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 422, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 46, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00046.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904282", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "022b63cf-3044-4156-8af6-f8cd1171f554", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343247", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00047.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 423, |
| | | "resource_type": "control", |
| | | "run": 47, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00047.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904284", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "00abfc27-56a1-4217-94f4-0dca3a339221", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343354", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00047.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 424, |
| | | "resource_type": "forcefield-files", |
| | | "run": 47, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00047.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904285", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "15c0d79f-62a7-453d-922a-59841785dbc9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343461", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00047.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 425, |
| | | "resource_type": "trajectory", |
| | | "run": 47, |
| | | "size": 34075972, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00047.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904286", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c1a491f7-7008-4bac-8f91-aaf0ce9e6894", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343568", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00047.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 426, |
| | | "resource_type": "input-coordinates", |
| | | "run": 47, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00047.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904288", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "11189e6f-fd23-4118-8128-d9e8a0de4ada", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343676", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00047.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 427, |
| | | "resource_type": "log", |
| | | "run": 47, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00047.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904289", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "595e0f64-95d0-455b-8680-3e5c0f604d1f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343783", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00047.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 428, |
| | | "resource_type": "energy", |
| | | "run": 47, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00047.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904290", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "d603d438-3b19-4de6-8741-86d8a42cbd48", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343890", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00047.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 429, |
| | | "resource_type": "topology", |
| | | "run": 47, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00047.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904292", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7b588034-b71f-49ed-8ca1-ba13b1404f0e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.343997", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00047.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 430, |
| | | "resource_type": "final-coordinates", |
| | | "run": 47, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00047.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904293", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5b110eb7-9f5a-47f5-8976-89bf1b7d0914", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344103", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00047.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 431, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 47, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00047.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904294", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "5a94e01d-afa3-4d69-8a5c-b12d10cd807f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344209", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00048.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 432, |
| | | "resource_type": "control", |
| | | "run": 48, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00048.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904296", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "5b00986f-82d9-4882-9c3d-402d19500746", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344316", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00048.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 433, |
| | | "resource_type": "forcefield-files", |
| | | "run": 48, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00048.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904297", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "09dc9770-33a4-45e6-aa8c-a4fb4a76e164", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344422", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00048.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 434, |
| | | "resource_type": "trajectory", |
| | | "run": 48, |
| | | "size": 34075072, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00048.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904298", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "40116082-fdd5-401f-b960-e925aadf6e67", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344530", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00048.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 435, |
| | | "resource_type": "input-coordinates", |
| | | "run": 48, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00048.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904300", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "1fcdea04-b33f-4321-aecd-178c76255bb5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344635", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00048.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 436, |
| | | "resource_type": "log", |
| | | "run": 48, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00048.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904301", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "0ded9f77-c217-459b-b222-329faf8da5d7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344741", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00048.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 437, |
| | | "resource_type": "energy", |
| | | "run": 48, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00048.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904302", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "dba7c007-337e-4bf5-8913-ede4c37a351e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344847", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00048.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 438, |
| | | "resource_type": "topology", |
| | | "run": 48, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00048.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904304", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "57bd24cd-581f-46ba-a099-a72c69dad11b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.344952", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00048.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 439, |
| | | "resource_type": "final-coordinates", |
| | | "run": 48, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00048.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904305", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "16c43a4a-2131-4844-8454-8bc14e9ff6ad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345059", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00048.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 440, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 48, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00048.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904307", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "f2c4e8e9-a08b-474a-900c-3ab2b7ab6d90", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345165", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00049.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 441, |
| | | "resource_type": "control", |
| | | "run": 49, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00049.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904308", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "4cb2c6fa-b69c-47e1-94c4-51a25bc36a7b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345271", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00049.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 442, |
| | | "resource_type": "forcefield-files", |
| | | "run": 49, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00049.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904309", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "74b7d218-05af-4e2d-aeb8-6253c3ae3528", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345378", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00049.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 443, |
| | | "resource_type": "trajectory", |
| | | "run": 49, |
| | | "size": 34074200, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00049.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904311", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a628dcd1-b1b0-4c20-8e30-9a53776f8f76", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345485", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00049.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 444, |
| | | "resource_type": "input-coordinates", |
| | | "run": 49, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00049.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904312", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "5819742c-3683-478a-94f1-e01d0fd78ce1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345591", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00049.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 445, |
| | | "resource_type": "log", |
| | | "run": 49, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00049.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904313", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "08e7a879-42aa-44ac-bc79-848146f9042a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345703", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00049.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 446, |
| | | "resource_type": "energy", |
| | | "run": 49, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00049.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904315", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "b5a3ed81-60e0-4172-968b-6528dc3d4ebb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345810", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00049.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 447, |
| | | "resource_type": "topology", |
| | | "run": 49, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00049.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904316", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "759c193c-dd60-4803-8ced-e86d72ebdc0f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.345916", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00049.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 448, |
| | | "resource_type": "final-coordinates", |
| | | "run": 49, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00049.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904318", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "95e96b34-3d14-4c1c-8136-357dbf3548a3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346023", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00049.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 449, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 49, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00049.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904319", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "8a557a2b-6b0e-434b-876f-620bdaa7ef38", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346130", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00050.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 450, |
| | | "resource_type": "control", |
| | | "run": 50, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00050.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904320", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "a3dd4f66-477f-4b64-a807-f37081e5f2f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346237", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00050.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 451, |
| | | "resource_type": "forcefield-files", |
| | | "run": 50, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00050.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904322", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "464d720f-7403-4dc4-89a2-30c67fa81310", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346345", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00050.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 452, |
| | | "resource_type": "trajectory", |
| | | "run": 50, |
| | | "size": 34072252, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00050.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904323", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e662f9d9-2e40-415f-8935-f516875fca07", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346454", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00050.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 453, |
| | | "resource_type": "input-coordinates", |
| | | "run": 50, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00050.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904324", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "48132beb-3a41-4a7c-aa8d-d94345dca9a7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346562", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00050.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 454, |
| | | "resource_type": "log", |
| | | "run": 50, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00050.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904326", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "327470d2-abe1-4b3c-8e75-457386ed1f67", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346668", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00050.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 455, |
| | | "resource_type": "energy", |
| | | "run": 50, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00050.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904327", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "693e67bc-6f8c-487f-8f45-40287c2ebe15", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346775", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00050.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 456, |
| | | "resource_type": "topology", |
| | | "run": 50, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00050.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904328", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "8c52a12a-3faf-49e1-9e29-dbd4fadd06ad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346881", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00050.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 457, |
| | | "resource_type": "final-coordinates", |
| | | "run": 50, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00050.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904330", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ae4fa8be-85a3-47b1-9add-98d0ce55b1bc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.346987", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00050.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 458, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 50, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00050.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904331", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "5b8a2e39-3926-4e5e-9165-f40134ee68e3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347101", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00051.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 459, |
| | | "resource_type": "control", |
| | | "run": 51, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00051.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904332", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "de483f61-046c-4599-8971-c8d52395668a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347209", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00051.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 460, |
| | | "resource_type": "forcefield-files", |
| | | "run": 51, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00051.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904334", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "8ff2d2a5-f9ac-47ec-9748-6fc734441340", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347315", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00051.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 461, |
| | | "resource_type": "trajectory", |
| | | "run": 51, |
| | | "size": 34076688, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00051.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904335", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6e74259c-43d9-4b67-982f-59b03833eae6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347421", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00051.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 462, |
| | | "resource_type": "input-coordinates", |
| | | "run": 51, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00051.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904336", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "fb40785c-26de-4c6a-873d-436f6e0dfb2c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347528", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00051.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 463, |
| | | "resource_type": "log", |
| | | "run": 51, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00051.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904338", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "7149be3b-8155-4edd-8da0-d0e54b08eef2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347634", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00051.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 464, |
| | | "resource_type": "energy", |
| | | "run": 51, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00051.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904339", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "a54ab85e-dc0f-4d24-ba94-e308e98ad230", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347741", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00051.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 465, |
| | | "resource_type": "topology", |
| | | "run": 51, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00051.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904340", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c1095ce4-f704-46df-b8bc-c16d9fb00ca6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347848", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00051.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 466, |
| | | "resource_type": "final-coordinates", |
| | | "run": 51, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00051.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904342", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "19d331cc-50e0-4325-b682-713aed9a5721", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.347953", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00051.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 467, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 51, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00051.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904343", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "ec44dd43-24a1-4690-adf1-311647c4f09a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348059", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00052.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 468, |
| | | "resource_type": "control", |
| | | "run": 52, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00052.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904344", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "c37f3b27-615d-41a3-9253-71d0c8ee7363", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348164", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00052.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 469, |
| | | "resource_type": "forcefield-files", |
| | | "run": 52, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00052.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904346", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "4d5a64bc-6478-4e9d-b49a-a49a9e2c8519", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348270", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00052.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 470, |
| | | "resource_type": "trajectory", |
| | | "run": 52, |
| | | "size": 34074724, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00052.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904347", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "71de6a5f-2e61-4c30-b2de-858f55c54f1a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348376", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00052.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 471, |
| | | "resource_type": "input-coordinates", |
| | | "run": 52, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00052.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904348", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "7a4f1285-5daa-457a-854d-a387949f0d1f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348482", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00052.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 472, |
| | | "resource_type": "log", |
| | | "run": 52, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00052.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904350", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "bfee7ebe-6a01-464c-a527-f81366ac5461", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348588", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00052.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 473, |
| | | "resource_type": "energy", |
| | | "run": 52, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00052.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904351", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "1d25d13f-8616-4d0b-9038-e7a06f733b4b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348699", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00052.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 474, |
| | | "resource_type": "topology", |
| | | "run": 52, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00052.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904352", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fb808cc4-56fa-467e-87e1-513d7e343dc0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348806", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00052.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 475, |
| | | "resource_type": "final-coordinates", |
| | | "run": 52, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00052.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904353", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ffd49ce2-933f-4493-a48d-70fcbc74f500", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.348974", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00052.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 476, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 52, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00052.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904355", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "6c11aaa0-d9ed-4cb5-8537-7860c3622241", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349085", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00053.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 477, |
| | | "resource_type": "control", |
| | | "run": 53, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00053.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904356", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "62bd0d52-a45d-4b14-a333-a6f7d5be33c4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349194", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00053.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 478, |
| | | "resource_type": "forcefield-files", |
| | | "run": 53, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00053.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904357", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "f7a1f6a8-9af8-4082-b38f-7407389fcca8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349301", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00053.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 479, |
| | | "resource_type": "trajectory", |
| | | "run": 53, |
| | | "size": 34074244, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00053.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904359", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fe6e36b0-4aaf-4883-a45b-d05c23219c7f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349407", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00053.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 480, |
| | | "resource_type": "input-coordinates", |
| | | "run": 53, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00053.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904360", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "de9a0ad2-38c0-47c5-a754-85b25e1e4bdf", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349515", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00053.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 481, |
| | | "resource_type": "log", |
| | | "run": 53, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00053.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904361", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "423ee831-114d-4121-88d0-0924642edfcc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349629", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00053.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 482, |
| | | "resource_type": "energy", |
| | | "run": 53, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00053.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904363", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "5af6cb95-9f0f-4fe1-b18b-a31dfbe40e39", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349737", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00053.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 483, |
| | | "resource_type": "topology", |
| | | "run": 53, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00053.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904364", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d0c456c5-cafc-4d03-b51d-e37f36d83ff4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349843", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00053.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 484, |
| | | "resource_type": "final-coordinates", |
| | | "run": 53, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00053.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904365", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b1cd5d3c-ddaa-488d-acc4-ca81d9435d8f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.349949", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00053.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 485, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 53, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00053.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904366", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "688a599e-d889-45b1-9b53-349866dcef34", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350055", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00054.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 486, |
| | | "resource_type": "control", |
| | | "run": 54, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00054.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904368", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "ecba5cbb-bbe2-4871-9974-3f2a2ac3fc64", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350161", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00054.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 487, |
| | | "resource_type": "forcefield-files", |
| | | "run": 54, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00054.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904369", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "14703180-b13e-42f8-9de6-17dd47ba9aa1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350267", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00054.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 488, |
| | | "resource_type": "trajectory", |
| | | "run": 54, |
| | | "size": 34075188, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00054.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904370", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b58848b1-afc1-43e0-8c8e-ee5859554661", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350373", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00054.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 489, |
| | | "resource_type": "input-coordinates", |
| | | "run": 54, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00054.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904372", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "4b8991b9-2398-449d-ad42-6a02a3b4ab57", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350480", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00054.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 490, |
| | | "resource_type": "log", |
| | | "run": 54, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00054.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904373", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "7e1bebc7-ef08-4f5a-be5c-f10ce9cbca2a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350585", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00054.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 491, |
| | | "resource_type": "energy", |
| | | "run": 54, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00054.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904374", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "af9f15bf-c951-4089-aa00-ebe2c494c70e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350692", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00054.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 492, |
| | | "resource_type": "topology", |
| | | "run": 54, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00054.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904376", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "bc9074b2-3bb4-4efb-9dc3-074c52cca6a1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350798", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00054.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 493, |
| | | "resource_type": "final-coordinates", |
| | | "run": 54, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00054.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904377", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "3ab3bc64-60eb-4117-8cad-e5afd7870208", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.350905", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00054.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 494, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 54, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00054.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904378", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "21df3c8d-1a97-4550-9d16-c291ffec3ba3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351012", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00055.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 495, |
| | | "resource_type": "control", |
| | | "run": 55, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00055.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904380", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "77b58515-9ec3-4274-9cad-468b83509b08", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351128", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00055.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 496, |
| | | "resource_type": "forcefield-files", |
| | | "run": 55, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00055.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904381", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "4c41d8ae-6068-4d85-a643-20166f03d6e1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351236", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00055.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 497, |
| | | "resource_type": "trajectory", |
| | | "run": 55, |
| | | "size": 34071060, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00055.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904382", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e82aa0e5-0f51-4226-898c-bc0bb82bd519", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351343", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00055.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 498, |
| | | "resource_type": "input-coordinates", |
| | | "run": 55, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00055.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904384", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "fb07bac0-85d2-4d7c-994a-ac069f686a38", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351449", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00055.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 499, |
| | | "resource_type": "log", |
| | | "run": 55, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00055.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904385", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "1780cf7b-217c-4224-b9b2-fa4747b5ea4f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351555", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00055.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 500, |
| | | "resource_type": "energy", |
| | | "run": 55, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00055.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904386", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "db7146de-f31c-4d03-abd0-5175248516a3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351662", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00055.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 501, |
| | | "resource_type": "topology", |
| | | "run": 55, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00055.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904388", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6d3da110-d977-40e1-a174-f318ad759988", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351769", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00055.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 502, |
| | | "resource_type": "final-coordinates", |
| | | "run": 55, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00055.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904389", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "938bdc45-e739-4b25-82a3-b7cfbb10dafc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351876", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00055.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 503, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 55, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00055.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904391", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "19daa70a-05b2-4432-ac1d-5b7c212fa588", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.351983", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00056.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 504, |
| | | "resource_type": "control", |
| | | "run": 56, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00056.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904392", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "0ed508a3-0785-4edb-af19-873b8b4b6012", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352089", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00056.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 505, |
| | | "resource_type": "forcefield-files", |
| | | "run": 56, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00056.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904393", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "3ceda87e-9292-45d9-984a-b98d5283f21f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352195", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00056.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 506, |
| | | "resource_type": "trajectory", |
| | | "run": 56, |
| | | "size": 34072668, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00056.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904395", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d25f08aa-0d0d-40bc-aa56-338e81c60626", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352302", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00056.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 507, |
| | | "resource_type": "input-coordinates", |
| | | "run": 56, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00056.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904396", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "5331acd4-c0de-4cbb-aa85-1a475e83d3db", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352408", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00056.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 508, |
| | | "resource_type": "log", |
| | | "run": 56, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00056.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904398", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "28f39465-1343-4327-b5b7-0887d3e22f1c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352517", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00056.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 509, |
| | | "resource_type": "energy", |
| | | "run": 56, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00056.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904399", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "a30c6ef4-484f-4ce2-9321-88250f98cb41", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352629", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00056.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 510, |
| | | "resource_type": "topology", |
| | | "run": 56, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00056.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904401", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "857d1cc3-7a41-4296-a304-466374bfb84a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352737", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00056.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 511, |
| | | "resource_type": "final-coordinates", |
| | | "run": 56, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00056.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904402", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9b75b26d-5d3d-45c0-a0fb-51f9e3a751a1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352844", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00056.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 512, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 56, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00056.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904404", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "10d593a0-9e2c-4432-8193-bf5a1c79673e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.352951", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00057.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 513, |
| | | "resource_type": "control", |
| | | "run": 57, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00057.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904405", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "1e80e33f-d4ce-4cbc-a477-3c1fe24a3589", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353058", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00057.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 514, |
| | | "resource_type": "forcefield-files", |
| | | "run": 57, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00057.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904406", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "23c89de2-5b5d-4268-9fcc-0d82a8e24616", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353166", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00057.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 515, |
| | | "resource_type": "trajectory", |
| | | "run": 57, |
| | | "size": 34073508, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00057.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904408", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "0d95c5f4-2e7f-4940-b38b-8d48bf63b561", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353274", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00057.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 516, |
| | | "resource_type": "input-coordinates", |
| | | "run": 57, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00057.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904410", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "de11fe4a-f230-4e9a-bff1-aa207337908f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353381", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00057.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 517, |
| | | "resource_type": "log", |
| | | "run": 57, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00057.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904411", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "8e14b2de-17b6-451d-9608-84238fda6c65", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353488", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00057.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 518, |
| | | "resource_type": "energy", |
| | | "run": 57, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00057.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904412", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "28ac3e7f-f662-4474-b0d5-cbc016231a88", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353595", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00057.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 519, |
| | | "resource_type": "topology", |
| | | "run": 57, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00057.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904414", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "2c9ea097-2a6e-4d62-9b7e-08a7563ce9f5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353701", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00057.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 520, |
| | | "resource_type": "final-coordinates", |
| | | "run": 57, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00057.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904415", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a79da4ba-cf38-4057-bcd6-c94aecaab2fb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353807", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00057.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 521, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 57, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00057.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904417", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "6c8189c4-e6b0-4a90-a1fb-c803bbc8c9ee", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.353913", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00058.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 522, |
| | | "resource_type": "control", |
| | | "run": 58, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00058.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904418", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "6bd86fb3-ee0b-4d3e-8c32-61fd84f191ce", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354018", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00058.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 523, |
| | | "resource_type": "forcefield-files", |
| | | "run": 58, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00058.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904419", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "d227b0ac-6636-4bc1-830d-2a7b28125a25", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354124", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00058.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 524, |
| | | "resource_type": "trajectory", |
| | | "run": 58, |
| | | "size": 34071940, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00058.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904421", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "728add7f-73a5-42e4-b583-cfb540143f0e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354230", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00058.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 525, |
| | | "resource_type": "input-coordinates", |
| | | "run": 58, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00058.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904422", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "cd8d887d-dfc9-475d-bf45-b688b761aea6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354336", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00058.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 526, |
| | | "resource_type": "log", |
| | | "run": 58, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00058.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904423", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "3bc4f8ed-42c8-4759-bcbd-aa1af2a4e5d5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354444", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00058.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 527, |
| | | "resource_type": "energy", |
| | | "run": 58, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00058.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904425", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "e5e0b026-7345-42d6-b056-61b9450f0a53", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354551", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00058.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 528, |
| | | "resource_type": "topology", |
| | | "run": 58, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00058.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904426", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "f95c1774-61ef-4b2f-9488-3cf25dd42dc7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354658", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00058.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 529, |
| | | "resource_type": "final-coordinates", |
| | | "run": 58, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00058.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904427", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "0d04063d-62ed-4f5c-9278-0141378332bc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354765", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00058.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 530, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 58, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00058.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904429", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "de05d19d-dfca-4720-b611-31bf9d6db7bd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354872", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00059.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 531, |
| | | "resource_type": "control", |
| | | "run": 59, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00059.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904430", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "1818614d-c99b-4cd2-a7a3-d70fbf5b60e3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.354978", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00059.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 532, |
| | | "resource_type": "forcefield-files", |
| | | "run": 59, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00059.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904431", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "7af61a0d-5088-4f5a-9225-9ce5b9b18954", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355093", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00059.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 533, |
| | | "resource_type": "trajectory", |
| | | "run": 59, |
| | | "size": 34077544, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00059.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904433", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5dcc6532-3c42-49ac-9404-57f31d85dfb0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355202", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00059.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 534, |
| | | "resource_type": "input-coordinates", |
| | | "run": 59, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00059.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904434", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "7ee2aa3a-16c7-4792-bb37-4378639a0a42", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355308", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00059.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 535, |
| | | "resource_type": "log", |
| | | "run": 59, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00059.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904435", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "3624dba2-4e8c-4ab5-90c8-65e6f3e439e7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355414", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00059.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 536, |
| | | "resource_type": "energy", |
| | | "run": 59, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00059.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904436", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "8fb56e10-aa13-4294-89a7-374bd4c0bcf1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355521", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00059.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 537, |
| | | "resource_type": "topology", |
| | | "run": 59, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00059.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904438", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5eb75fea-1df3-4f33-8096-c4c5f335f87d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355632", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00059.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 538, |
| | | "resource_type": "final-coordinates", |
| | | "run": 59, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00059.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904439", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7d7c46b8-7655-4aa3-ba01-2dc76d0d6d07", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355739", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00059.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 539, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 59, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00059.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904440", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "50a04bed-27af-46ec-807f-e20d7e574639", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355844", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00060.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 540, |
| | | "resource_type": "control", |
| | | "run": 60, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00060.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904441", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "8258c71f-e504-49f7-a079-5db9a6bc2a9f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.355950", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00060.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 541, |
| | | "resource_type": "forcefield-files", |
| | | "run": 60, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00060.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904443", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "934060f5-ba67-4611-8abc-14a3f7cc8b64", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356056", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00060.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 542, |
| | | "resource_type": "trajectory", |
| | | "run": 60, |
| | | "size": 34072632, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00060.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904444", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1ce1541b-89fc-4a52-9ab1-daa4065b4964", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356163", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00060.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 543, |
| | | "resource_type": "input-coordinates", |
| | | "run": 60, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00060.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904445", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "57a5a30c-083d-4dd1-a0a6-4363a509302e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356270", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00060.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 544, |
| | | "resource_type": "log", |
| | | "run": 60, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00060.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904447", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "a7bc9019-1515-46dd-ab25-85e30a58af07", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356377", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00060.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 545, |
| | | "resource_type": "energy", |
| | | "run": 60, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00060.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904448", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "75d6f817-3aef-4c46-9ede-34553997db7c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356484", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00060.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 546, |
| | | "resource_type": "topology", |
| | | "run": 60, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00060.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904449", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "66800d8f-8556-4ddb-b914-73373ef569ec", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356590", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00060.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 547, |
| | | "resource_type": "final-coordinates", |
| | | "run": 60, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00060.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904451", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "29ae9419-61e2-4aa7-babf-fd23ef0d4bf2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356696", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00060.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 548, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 60, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00060.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904452", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "30d52c33-c09a-4d38-8646-e7514ec014ad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356801", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00061.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 549, |
| | | "resource_type": "control", |
| | | "run": 61, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00061.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904453", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "672e382c-fe7d-4a10-b29b-7127bb3e0db3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.356908", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00061.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 550, |
| | | "resource_type": "forcefield-files", |
| | | "run": 61, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00061.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904455", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "68f18989-ab77-4180-8609-12cc0a55eabd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357013", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00061.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 551, |
| | | "resource_type": "trajectory", |
| | | "run": 61, |
| | | "size": 34069604, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00061.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904456", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7bde4e31-0c95-4e49-a9cb-59384bcc1223", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357119", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00061.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 552, |
| | | "resource_type": "input-coordinates", |
| | | "run": 61, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00061.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904457", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "2c4ace1f-83bf-4490-9e40-c5cfc0cbaaf5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357287", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00061.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 553, |
| | | "resource_type": "log", |
| | | "run": 61, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00061.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904459", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "b22f54c7-4a6c-4d23-b5ff-508be4dd8e1f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357395", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00061.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 554, |
| | | "resource_type": "energy", |
| | | "run": 61, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00061.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904460", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "0592f08d-3675-4633-8ad8-a9127ca81d4f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357502", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00061.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 555, |
| | | "resource_type": "topology", |
| | | "run": 61, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00061.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904461", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6d378481-c4fd-4c26-8be5-a57ddab660b8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357609", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00061.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 556, |
| | | "resource_type": "final-coordinates", |
| | | "run": 61, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00061.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904463", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "15da407a-d419-49d6-ac1f-91bc442ec593", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357716", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00061.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 557, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 61, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00061.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904464", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "40bfe814-9442-4020-beda-2cf55f8c5633", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357821", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00062.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 558, |
| | | "resource_type": "control", |
| | | "run": 62, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00062.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904466", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "5690ae0a-0df3-471b-8204-d38e632f841e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.357928", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00062.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 559, |
| | | "resource_type": "forcefield-files", |
| | | "run": 62, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00062.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904467", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "c7e88851-eacb-46ab-a780-e4d0cf039805", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358034", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00062.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 560, |
| | | "resource_type": "trajectory", |
| | | "run": 62, |
| | | "size": 34073732, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00062.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904468", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "182945b1-bd37-4e6b-8a80-9c58f37ea0a1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358140", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00062.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 561, |
| | | "resource_type": "input-coordinates", |
| | | "run": 62, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00062.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904470", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "f40ffbb4-b221-4990-91d8-bd6af2b0f327", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358247", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00062.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 562, |
| | | "resource_type": "log", |
| | | "run": 62, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00062.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904471", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "c0432c85-5227-4fed-9c54-f9412ac2daaa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358352", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00062.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 563, |
| | | "resource_type": "energy", |
| | | "run": 62, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00062.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904473", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "edc917c7-8c33-40fc-a5e4-08f4745ec1c5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358459", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00062.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 564, |
| | | "resource_type": "topology", |
| | | "run": 62, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00062.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904474", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b765d536-5d71-469f-a403-cb69d3f5af2e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358567", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00062.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 565, |
| | | "resource_type": "final-coordinates", |
| | | "run": 62, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00062.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904476", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "660db0d0-4692-4d13-880d-975be6b4ee28", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358680", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00062.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 566, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 62, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00062.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904477", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "ab3745f1-f179-4269-aaa4-b0168c2f48b8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358789", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00063.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 567, |
| | | "resource_type": "control", |
| | | "run": 63, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00063.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904479", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "1464ace6-9633-4515-ba48-e5ce4c39db8e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.358896", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00063.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 568, |
| | | "resource_type": "forcefield-files", |
| | | "run": 63, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00063.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904480", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "6fd04c1a-a419-4ae0-905c-57d843699a20", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359003", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00063.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 569, |
| | | "resource_type": "trajectory", |
| | | "run": 63, |
| | | "size": 34076268, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00063.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904481", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a24d3e28-1158-42ea-9b73-f8ef18338bcc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359127", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00063.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 570, |
| | | "resource_type": "input-coordinates", |
| | | "run": 63, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00063.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904483", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "0b1a6084-d041-46c8-8071-f54007c44e60", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359238", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00063.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 571, |
| | | "resource_type": "log", |
| | | "run": 63, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00063.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904484", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "4f24c2ba-43ac-40ef-8c46-243bb29a2688", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359346", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00063.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 572, |
| | | "resource_type": "energy", |
| | | "run": 63, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00063.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904485", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "734f1346-859f-480d-b7e6-3cce3277b8ae", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359453", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00063.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 573, |
| | | "resource_type": "topology", |
| | | "run": 63, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00063.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904487", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b7fb56af-4b22-4a7c-b3af-f27ff0c76b86", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359561", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00063.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 574, |
| | | "resource_type": "final-coordinates", |
| | | "run": 63, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00063.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904488", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "86382aea-b64d-44cd-bf7a-568e4325b4cd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359675", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00063.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 575, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 63, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00063.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904489", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "a37041f7-d892-42e5-9e1a-badc2fda3958", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359782", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00064.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 576, |
| | | "resource_type": "control", |
| | | "run": 64, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00064.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904491", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "ec0856ee-f9e3-4da0-9a44-a5f991d69a6d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359888", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00064.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 577, |
| | | "resource_type": "forcefield-files", |
| | | "run": 64, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00064.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904492", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "c6c87bd5-58db-4ce1-951b-33a62faf6997", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.359994", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00064.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 578, |
| | | "resource_type": "trajectory", |
| | | "run": 64, |
| | | "size": 34074364, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00064.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904493", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "0833e0a3-85ee-4138-b5e7-014eee428951", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360101", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00064.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 579, |
| | | "resource_type": "input-coordinates", |
| | | "run": 64, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00064.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904495", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "78fcc5bf-4672-47fc-aeb4-d44dab5466ea", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360207", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00064.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 580, |
| | | "resource_type": "log", |
| | | "run": 64, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00064.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904496", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "a2d68205-6959-4fdb-9bc6-63097122d5b9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360314", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00064.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 581, |
| | | "resource_type": "energy", |
| | | "run": 64, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00064.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904497", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "a27b70d6-bede-4764-be24-f8737fb72931", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360420", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00064.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 582, |
| | | "resource_type": "topology", |
| | | "run": 64, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00064.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904499", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "cfdedc86-d641-4b92-918c-dd63afa6de93", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360526", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00064.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 583, |
| | | "resource_type": "final-coordinates", |
| | | "run": 64, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00064.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904500", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c2693b88-b01d-41e2-a81c-f768127a11ac", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360632", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00064.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 584, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 64, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00064.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904501", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "376ec562-ba2d-46cb-ba8e-64cebb3c196e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360749", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00065.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 585, |
| | | "resource_type": "control", |
| | | "run": 65, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00065.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904502", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "4a5a8fea-b1cc-4514-9b9d-7801d791b245", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360857", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00065.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 586, |
| | | "resource_type": "forcefield-files", |
| | | "run": 65, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00065.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904504", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "5734a5ac-54cc-40de-94d6-0c1135717fe5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.360963", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00065.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 587, |
| | | "resource_type": "trajectory", |
| | | "run": 65, |
| | | "size": 34072040, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00065.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904505", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9e98d865-2d2d-499e-81b8-ca39fcad4749", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361069", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00065.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 588, |
| | | "resource_type": "input-coordinates", |
| | | "run": 65, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00065.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904506", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "c8d3c209-f072-4a18-9f7d-3fc0468d195f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361176", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00065.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 589, |
| | | "resource_type": "log", |
| | | "run": 65, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00065.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904508", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "aad362c2-f4af-49d3-8638-0490f34273c1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361281", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00065.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 590, |
| | | "resource_type": "energy", |
| | | "run": 65, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00065.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904509", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "d22f2270-d27c-46ce-952c-494cef03c2f7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361387", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00065.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 591, |
| | | "resource_type": "topology", |
| | | "run": 65, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00065.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904510", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5c803f8c-765e-4075-85fb-8e1f2d2ae6b4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361492", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00065.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 592, |
| | | "resource_type": "final-coordinates", |
| | | "run": 65, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00065.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904512", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c9261528-a57b-40f8-b1d1-461040521b2e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361600", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00065.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 593, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 65, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00065.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904513", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "677c29c0-91ce-4f4f-be1d-d6ebc2ec9453", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361706", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00066.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 594, |
| | | "resource_type": "control", |
| | | "run": 66, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00066.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904514", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "25fc8f4f-7ed2-429d-87de-c6bb82a74eac", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361812", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00066.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 595, |
| | | "resource_type": "forcefield-files", |
| | | "run": 66, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00066.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904516", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "9a6cf2da-5502-4d92-8e23-5232d7b3002b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.361919", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00066.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 596, |
| | | "resource_type": "trajectory", |
| | | "run": 66, |
| | | "size": 34069660, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00066.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904517", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4dd4a2e4-c3d8-4f49-b76d-da364550ddfc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362025", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00066.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 597, |
| | | "resource_type": "input-coordinates", |
| | | "run": 66, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00066.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904519", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "aae98646-bc62-45c3-a348-2cd03d1757cf", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362132", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00066.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 598, |
| | | "resource_type": "log", |
| | | "run": 66, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00066.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904520", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "47eee08d-7bad-413a-9027-29759cd21128", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362239", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00066.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 599, |
| | | "resource_type": "energy", |
| | | "run": 66, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00066.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904521", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "6f990da9-fed1-48da-b70c-a43a12ec9d96", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362345", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00066.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 600, |
| | | "resource_type": "topology", |
| | | "run": 66, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00066.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904522", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9a5700f5-3f7c-4e58-94b7-c465bbaae3f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362451", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00066.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 601, |
| | | "resource_type": "final-coordinates", |
| | | "run": 66, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00066.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904524", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6bf0858a-9841-4829-b1b9-e58e87f0bc8e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362558", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00066.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 602, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 66, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00066.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904525", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "5512747f-c784-4dc9-927f-0eff8e186f8b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362664", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00067.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 603, |
| | | "resource_type": "control", |
| | | "run": 67, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00067.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904526", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "346278bc-bd0e-4280-b9f3-cc7d005f05f7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362770", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00067.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 604, |
| | | "resource_type": "forcefield-files", |
| | | "run": 67, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00067.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904528", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "83e8a90e-1b2a-445a-998b-56652b894759", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362875", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00067.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 605, |
| | | "resource_type": "trajectory", |
| | | "run": 67, |
| | | "size": 34073596, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00067.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904529", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "51c6cdf2-3b7e-455c-a9df-93b8a099b158", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.362980", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00067.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 606, |
| | | "resource_type": "input-coordinates", |
| | | "run": 67, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00067.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904530", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "1195f458-ba08-4ac1-8d16-d58a647ceb0b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363095", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00067.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 607, |
| | | "resource_type": "log", |
| | | "run": 67, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00067.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904531", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "d83306fd-1d03-460f-8d35-746aa470d6f0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363204", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00067.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 608, |
| | | "resource_type": "energy", |
| | | "run": 67, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00067.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904533", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "cedd2e6f-7d8d-4276-9e8e-a5453836f57b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363311", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00067.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 609, |
| | | "resource_type": "topology", |
| | | "run": 67, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00067.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904534", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "163c85b1-8608-474a-ae2f-caf36ba6a660", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363417", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00067.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 610, |
| | | "resource_type": "final-coordinates", |
| | | "run": 67, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00067.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904536", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "12179986-9d0f-487d-8101-63363c0bfa3d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363523", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00067.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 611, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 67, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00067.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904537", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "87f1a32b-db45-4f07-8aee-9e547898d46d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363634", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00068.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 612, |
| | | "resource_type": "control", |
| | | "run": 68, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00068.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904538", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "6b00c65e-2846-470e-9a10-ec45ae314ba4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363742", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00068.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 613, |
| | | "resource_type": "forcefield-files", |
| | | "run": 68, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00068.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904540", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "21bf8210-eb91-45a5-80ca-b48aeaa044d0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363850", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00068.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 614, |
| | | "resource_type": "trajectory", |
| | | "run": 68, |
| | | "size": 34073444, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00068.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904541", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "09b6c959-49ce-470b-b536-c85ca992f269", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.363957", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00068.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 615, |
| | | "resource_type": "input-coordinates", |
| | | "run": 68, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00068.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904542", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "a56bff26-c6f3-4a4f-a285-37217a7bee23", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364064", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00068.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 616, |
| | | "resource_type": "log", |
| | | "run": 68, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00068.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904544", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "8b7e788e-7db7-48a8-a378-d8703ad8f22c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364172", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00068.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 617, |
| | | "resource_type": "energy", |
| | | "run": 68, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00068.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904545", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "1e4389e2-3df6-4b78-a5af-b17a29e7c135", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364279", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00068.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 618, |
| | | "resource_type": "topology", |
| | | "run": 68, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00068.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904546", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6855ad04-a052-4648-93a6-4aa5d6f358b9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364385", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00068.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 619, |
| | | "resource_type": "final-coordinates", |
| | | "run": 68, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00068.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904547", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "f20e0d69-f8aa-4138-a1ff-60acd8a4d477", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364491", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00068.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 620, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 68, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00068.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904549", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "43d07147-a5d0-4205-bbad-6bea71421a19", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364598", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00069.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 621, |
| | | "resource_type": "control", |
| | | "run": 69, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00069.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904550", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "8f8c8c37-57e8-4dd7-ad1e-6879fb5e644a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364706", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00069.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 622, |
| | | "resource_type": "forcefield-files", |
| | | "run": 69, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00069.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904551", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "7e0205ed-7682-4338-897f-10ee30105189", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364812", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00069.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 623, |
| | | "resource_type": "trajectory", |
| | | "run": 69, |
| | | "size": 34070164, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00069.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904553", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c353c9c9-345e-48c7-af83-c23574447bb3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.364919", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00069.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 624, |
| | | "resource_type": "input-coordinates", |
| | | "run": 69, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00069.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904554", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "2cfabe6c-205d-4f57-b7fd-43bfe22ad614", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365026", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00069.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 625, |
| | | "resource_type": "log", |
| | | "run": 69, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00069.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904555", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "17951651-95a6-4633-9749-380e2ba48c88", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365132", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00069.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 626, |
| | | "resource_type": "energy", |
| | | "run": 69, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00069.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904557", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "4dc2b2a0-141b-4c56-ab42-684caea97bef", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365239", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00069.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 627, |
| | | "resource_type": "topology", |
| | | "run": 69, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00069.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904558", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ad075b44-f7f4-4e78-8a36-64cf70639192", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365346", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00069.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 628, |
| | | "resource_type": "final-coordinates", |
| | | "run": 69, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00069.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904560", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "3f3e11dd-cf8e-4ecd-8786-357524b0a81c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365453", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00069.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 629, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 69, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00069.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904561", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "0b8425b7-e402-4cc3-8dff-fd9faa475611", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365621", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00070.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 630, |
| | | "resource_type": "control", |
| | | "run": 70, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00070.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904562", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "c90efdb0-f173-4160-acb4-fe36b69c8085", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365730", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00070.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 631, |
| | | "resource_type": "forcefield-files", |
| | | "run": 70, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00070.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904564", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "bc52f7b5-bff6-4150-8419-21cb97dd8937", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365837", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00070.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 632, |
| | | "resource_type": "trajectory", |
| | | "run": 70, |
| | | "size": 34071204, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00070.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904565", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "882d57c1-3e40-4bb2-b315-e7194759ed22", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.365944", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00070.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 633, |
| | | "resource_type": "input-coordinates", |
| | | "run": 70, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00070.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904566", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "ecb32687-ae2e-4e73-a4d2-19eb822a2d87", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366052", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00070.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 634, |
| | | "resource_type": "log", |
| | | "run": 70, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00070.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904568", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "a4a4da0f-24e9-46a3-b369-6531cc1fd2d0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366159", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00070.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 635, |
| | | "resource_type": "energy", |
| | | "run": 70, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00070.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904569", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "9f316df1-e437-4d5d-b89f-35705fcbc36d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366266", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00070.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 636, |
| | | "resource_type": "topology", |
| | | "run": 70, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00070.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904571", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "60e9aa2a-2b3a-4298-a386-0e6db9b97c71", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366372", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00070.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 637, |
| | | "resource_type": "final-coordinates", |
| | | "run": 70, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00070.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904572", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "978c534c-60f2-499f-aa06-d246abcc79b5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366480", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00070.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 638, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 70, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00070.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904573", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "9d34ddd6-636d-4626-91ff-f4deb5f647b0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366586", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00071.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 639, |
| | | "resource_type": "control", |
| | | "run": 71, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00071.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904575", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "717eef8f-e3b7-4852-bec7-7dd990701d4c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366699", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00071.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 640, |
| | | "resource_type": "forcefield-files", |
| | | "run": 71, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00071.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904576", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "492ee229-c536-4a8a-a454-a840746eea7b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366805", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00071.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 641, |
| | | "resource_type": "trajectory", |
| | | "run": 71, |
| | | "size": 34072912, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00071.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904577", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "28d59ab8-1663-4102-9a2c-578f267cc8b6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.366911", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00071.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 642, |
| | | "resource_type": "input-coordinates", |
| | | "run": 71, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00071.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904579", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "95336f3a-2244-46a6-9987-bd61a7b4e171", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367017", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00071.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 643, |
| | | "resource_type": "log", |
| | | "run": 71, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00071.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904580", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "0954650f-a999-474c-8c96-6822226ccfb0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367133", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00071.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 644, |
| | | "resource_type": "energy", |
| | | "run": 71, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00071.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904582", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "e3ae51b0-fae1-4d52-8287-288e8241987f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367241", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00071.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 645, |
| | | "resource_type": "topology", |
| | | "run": 71, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00071.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904583", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fec4d1c7-e665-49ee-898d-8d0d5020db11", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367347", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00071.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 646, |
| | | "resource_type": "final-coordinates", |
| | | "run": 71, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00071.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904584", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "83597bbd-d4c7-4b90-8fd5-aa288ed0b572", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367454", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00071.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 647, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 71, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00071.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904586", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "eaf45d1d-a7b5-40f0-94af-e664f857ad86", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367560", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00072.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 648, |
| | | "resource_type": "control", |
| | | "run": 72, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00072.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904587", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "5bdefbdd-e3f7-4fe2-8829-c34d96e07e5b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367669", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00072.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 649, |
| | | "resource_type": "forcefield-files", |
| | | "run": 72, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00072.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904588", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "2abf29c7-186b-4fa5-b73c-52a719ca1b79", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367776", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00072.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 650, |
| | | "resource_type": "trajectory", |
| | | "run": 72, |
| | | "size": 34074980, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00072.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904590", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "37b8d13b-a45a-4606-aa16-0db9d034f288", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367884", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00072.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 651, |
| | | "resource_type": "input-coordinates", |
| | | "run": 72, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00072.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904591", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "d8f5dd9b-1d29-427b-a974-5f8a4b9e15b8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.367990", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00072.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 652, |
| | | "resource_type": "log", |
| | | "run": 72, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00072.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904592", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "7931747b-9c9c-4df7-9374-0f1e8a98a3a2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368098", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00072.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 653, |
| | | "resource_type": "energy", |
| | | "run": 72, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00072.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904593", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "60d89243-b2ee-490f-b649-a0b79d5da58a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368205", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00072.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 654, |
| | | "resource_type": "topology", |
| | | "run": 72, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00072.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904595", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1f0dd388-d13d-4253-8bc4-8c6eed1aebd4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368310", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00072.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 655, |
| | | "resource_type": "final-coordinates", |
| | | "run": 72, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00072.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904596", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c6432af4-0187-4852-ba2a-08a26cfb730e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368416", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00072.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 656, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 72, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00072.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904597", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "57a04bae-04b5-4942-b72e-f023bb3af026", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368521", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00073.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 657, |
| | | "resource_type": "control", |
| | | "run": 73, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00073.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904598", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "ff768c1a-faf4-4dd8-a200-8fa6d7dd26c5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368627", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00073.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 658, |
| | | "resource_type": "forcefield-files", |
| | | "run": 73, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00073.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904600", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "1c44a588-226d-42dd-9f3b-0c9c7b01e895", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368733", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00073.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 659, |
| | | "resource_type": "trajectory", |
| | | "run": 73, |
| | | "size": 34070212, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00073.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904601", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9ec16f84-ae8e-4bba-a129-e7daec79222f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368838", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00073.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 660, |
| | | "resource_type": "input-coordinates", |
| | | "run": 73, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00073.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904602", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "6623a8f3-730e-4743-bc92-fecfc9fd810f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.368946", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00073.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 661, |
| | | "resource_type": "log", |
| | | "run": 73, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00073.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904603", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "122049d1-e1a3-471b-8754-a980f420d49a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369053", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00073.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 662, |
| | | "resource_type": "energy", |
| | | "run": 73, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00073.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904605", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "50da308f-cf76-47fd-8bc8-74da506b0904", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369159", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00073.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 663, |
| | | "resource_type": "topology", |
| | | "run": 73, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00073.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904606", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "72dfcbc8-6339-4c07-aac5-e65b2fb252f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369265", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00073.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 664, |
| | | "resource_type": "final-coordinates", |
| | | "run": 73, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00073.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904607", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6ad4e0af-0ddd-48cd-8020-b9ceaabe9394", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369372", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00073.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 665, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 73, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00073.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904609", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "f21de4bc-7833-4913-a1c2-275ce501f893", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369478", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00074.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 666, |
| | | "resource_type": "control", |
| | | "run": 74, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00074.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904610", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "bcacc976-fd8d-4acc-b222-94b1a4e680d4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369584", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00074.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 667, |
| | | "resource_type": "forcefield-files", |
| | | "run": 74, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00074.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904612", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "ee8bcfaf-41a5-4292-8359-5ced4a01bbb7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369697", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00074.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 668, |
| | | "resource_type": "trajectory", |
| | | "run": 74, |
| | | "size": 34074796, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00074.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904613", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "8116a6b1-c85a-4095-b889-e52ebaa6baac", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369803", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00074.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 669, |
| | | "resource_type": "input-coordinates", |
| | | "run": 74, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00074.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904614", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "883da8a3-1149-485b-b5b5-410d9bdaebaa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.369909", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00074.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 670, |
| | | "resource_type": "log", |
| | | "run": 74, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00074.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904615", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "1ffdde61-0696-4bbc-aa0b-5547c9af291f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370015", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00074.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 671, |
| | | "resource_type": "energy", |
| | | "run": 74, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00074.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904617", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "17ca9c3f-eb17-4563-bbd8-f4e3bea1661c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370122", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00074.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 672, |
| | | "resource_type": "topology", |
| | | "run": 74, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00074.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904618", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "52547786-bd1f-48c5-9635-998bbe924507", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370228", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00074.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 673, |
| | | "resource_type": "final-coordinates", |
| | | "run": 74, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00074.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904619", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c26ce733-5859-4cff-b094-249e986e9618", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370334", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00074.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 674, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 74, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00074.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904621", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "fd366004-400c-4058-b235-29746a7f16b6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370440", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00075.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 675, |
| | | "resource_type": "control", |
| | | "run": 75, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00075.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904622", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "3f19c492-7ef0-4b3e-aa90-a769068f0b5b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370546", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00075.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 676, |
| | | "resource_type": "forcefield-files", |
| | | "run": 75, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00075.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904623", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "e2c5fe66-95cb-4bd3-9a80-c0466aa9f7fa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370654", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00075.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 677, |
| | | "resource_type": "trajectory", |
| | | "run": 75, |
| | | "size": 34072308, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00075.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904624", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ce8ee914-593a-4875-9686-ad9c65d02952", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370760", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00075.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 678, |
| | | "resource_type": "input-coordinates", |
| | | "run": 75, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00075.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904626", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "9fc75041-173e-4ee8-b4e1-0d9f3ad5b28e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370866", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00075.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 679, |
| | | "resource_type": "log", |
| | | "run": 75, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00075.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904627", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "3c0d5c02-4e25-4748-9c2e-f70999c56117", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.370974", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00075.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 680, |
| | | "resource_type": "energy", |
| | | "run": 75, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00075.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904628", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "8f4b09e6-c706-4c1e-892a-201120bc2ccc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371080", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00075.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 681, |
| | | "resource_type": "topology", |
| | | "run": 75, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00075.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904630", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fb4e09df-c102-4c61-84c4-6f0b59e569dc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371198", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00075.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 682, |
| | | "resource_type": "final-coordinates", |
| | | "run": 75, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00075.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904631", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7a89945b-3c67-4dbc-9219-d385f6066ee1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371318", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00075.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 683, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 75, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00075.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904633", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "8928efe0-e476-42f5-bc94-d712c3f8e142", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371427", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00076.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 684, |
| | | "resource_type": "control", |
| | | "run": 76, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00076.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904634", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "b0d6c7bd-0338-471c-8c4b-6b2573cd8693", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371534", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00076.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 685, |
| | | "resource_type": "forcefield-files", |
| | | "run": 76, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00076.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904635", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "f88c53e6-12a1-4e5b-8bbc-5a641a0b8c00", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371642", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00076.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 686, |
| | | "resource_type": "trajectory", |
| | | "run": 76, |
| | | "size": 34075972, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00076.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904636", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d4e5df38-b3bd-4f1c-98c1-0595f83f37a3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371751", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00076.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 687, |
| | | "resource_type": "input-coordinates", |
| | | "run": 76, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00076.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904638", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "8678514e-18f3-4c6d-b267-7af93bb2c853", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371858", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00076.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 688, |
| | | "resource_type": "log", |
| | | "run": 76, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00076.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904639", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "3a270ac8-802b-46b9-85c1-cc52b522da8a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.371965", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00076.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 689, |
| | | "resource_type": "energy", |
| | | "run": 76, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00076.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904641", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "fa09f6c2-b496-44a8-a463-3dbeba355f01", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372073", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00076.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 690, |
| | | "resource_type": "topology", |
| | | "run": 76, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00076.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904642", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "dd00c919-77e0-4d55-8c0c-baf038490e13", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372178", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00076.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 691, |
| | | "resource_type": "final-coordinates", |
| | | "run": 76, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00076.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904643", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "06894719-1ecc-463a-a084-9375c18a00c7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372284", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00076.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 692, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 76, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00076.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904645", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "4e50b380-72c7-40b6-b4f3-8e572013dd07", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372391", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00077.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 693, |
| | | "resource_type": "control", |
| | | "run": 77, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00077.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904646", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "54531c2e-d862-4d37-9c44-fd78e4df308f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372497", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00077.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 694, |
| | | "resource_type": "forcefield-files", |
| | | "run": 77, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00077.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904648", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "4ff93c16-e7a8-4d0b-8009-aab0e09f464f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372603", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00077.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 695, |
| | | "resource_type": "trajectory", |
| | | "run": 77, |
| | | "size": 34075824, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00077.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904649", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "84fa0ca5-1698-4b01-9710-e4ff656c65e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372716", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00077.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 696, |
| | | "resource_type": "input-coordinates", |
| | | "run": 77, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00077.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904650", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "acfda698-3eab-4d94-89ee-39d3dac2e799", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372823", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00077.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 697, |
| | | "resource_type": "log", |
| | | "run": 77, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00077.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904652", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "21b80337-701b-45cc-a6d7-6c4c48379a81", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.372931", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00077.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 698, |
| | | "resource_type": "energy", |
| | | "run": 77, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00077.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904653", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "3159ed21-bb4c-4863-ad32-f5bda0008d44", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373037", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00077.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 699, |
| | | "resource_type": "topology", |
| | | "run": 77, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00077.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904654", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d7402125-31b7-4b3d-8e7d-6c57b514f080", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373144", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00077.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 700, |
| | | "resource_type": "final-coordinates", |
| | | "run": 77, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00077.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904656", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "01042bff-08f5-4dbb-9f25-a5caa66faf31", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373251", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00077.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 701, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 77, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00077.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904657", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "05634db0-4505-49f0-995a-0820421ac169", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373357", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00078.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 702, |
| | | "resource_type": "control", |
| | | "run": 78, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00078.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904658", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "3142eb16-357d-4647-98a6-c5f3c08ea792", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373464", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00078.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 703, |
| | | "resource_type": "forcefield-files", |
| | | "run": 78, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00078.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904660", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "45d7c89d-2a30-49df-a9e1-c1b75ac8d30b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373570", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00078.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 704, |
| | | "resource_type": "trajectory", |
| | | "run": 78, |
| | | "size": 34075352, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00078.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904661", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9065a8f6-0c95-4af0-82ec-dea12e08c8d5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373678", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00078.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 705, |
| | | "resource_type": "input-coordinates", |
| | | "run": 78, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00078.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904662", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "3a195bd9-5d64-42e4-94bf-721482253716", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373786", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00078.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 706, |
| | | "resource_type": "log", |
| | | "run": 78, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00078.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904664", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "e809788d-9885-4efe-b85e-e34e0df958a2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.373951", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00078.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 707, |
| | | "resource_type": "energy", |
| | | "run": 78, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00078.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904665", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "377d6312-bb8e-4f65-83a5-161d8fcee226", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374061", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00078.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 708, |
| | | "resource_type": "topology", |
| | | "run": 78, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00078.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904667", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fe89ea35-f50e-4db7-b39e-f0a4220607dc", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374169", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00078.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 709, |
| | | "resource_type": "final-coordinates", |
| | | "run": 78, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00078.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904668", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e578e1e5-b3f4-4c57-9b0f-815c0a3a6f00", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374276", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00078.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 710, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 78, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00078.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904669", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "91641d43-353b-4880-bb0e-9e4ecbacef59", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374383", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00079.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 711, |
| | | "resource_type": "control", |
| | | "run": 79, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00079.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904670", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "c7de3cfb-5b4e-4172-8c0a-843c3dc8277c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374489", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00079.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 712, |
| | | "resource_type": "forcefield-files", |
| | | "run": 79, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00079.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904672", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "2cc6d267-de69-4f4c-b452-06dd39c5a36b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374595", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00079.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 713, |
| | | "resource_type": "trajectory", |
| | | "run": 79, |
| | | "size": 34078472, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00079.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904673", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "16e5524a-5e8a-42c3-9e83-bb57f9386a17", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374701", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00079.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 714, |
| | | "resource_type": "input-coordinates", |
| | | "run": 79, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00079.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904674", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "36b03f52-69ae-4dbc-8d24-8f298d6dbd97", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374817", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00079.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 715, |
| | | "resource_type": "log", |
| | | "run": 79, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00079.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904676", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "cf5d726a-cb09-444c-8e51-da567b249da0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.374925", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00079.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 716, |
| | | "resource_type": "energy", |
| | | "run": 79, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00079.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904677", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "8362dd2b-2967-4481-9479-28c13538f8f1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375032", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00079.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 717, |
| | | "resource_type": "topology", |
| | | "run": 79, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00079.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904679", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "750746c7-8c50-4d99-8bbc-05961490b1de", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375149", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00079.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 718, |
| | | "resource_type": "final-coordinates", |
| | | "run": 79, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00079.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904680", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "489ca666-4a0d-4752-9a7e-9c9a76a13625", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375256", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00079.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 719, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 79, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00079.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904681", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "54b1e52a-9408-4151-ac37-5391ffb8992d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375363", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00080.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 720, |
| | | "resource_type": "control", |
| | | "run": 80, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00080.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904683", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "1118ed29-f60e-411d-86b4-7dc05bf9db0b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375468", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00080.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 721, |
| | | "resource_type": "forcefield-files", |
| | | "run": 80, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00080.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904684", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "07d032bf-3a1e-4b29-9c44-c7982158f88f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375575", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00080.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 722, |
| | | "resource_type": "trajectory", |
| | | "run": 80, |
| | | "size": 34075748, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00080.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904685", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "fb501b13-c98d-4ddf-9a9e-c1e6c889f4ac", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375682", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00080.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 723, |
| | | "resource_type": "input-coordinates", |
| | | "run": 80, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00080.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904686", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "3120cc61-8be9-4042-b0ef-dff997630f2d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375788", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00080.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 724, |
| | | "resource_type": "log", |
| | | "run": 80, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00080.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904688", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "172034cb-1d57-47f3-bbbd-6ad953c82590", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.375894", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00080.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 725, |
| | | "resource_type": "energy", |
| | | "run": 80, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00080.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904689", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "04ff9d6c-84e8-485b-8943-b8cece643e50", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376001", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00080.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 726, |
| | | "resource_type": "topology", |
| | | "run": 80, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00080.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904690", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4c4cbb8b-d2c6-4672-aeb0-eea11fd21137", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376108", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00080.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 727, |
| | | "resource_type": "final-coordinates", |
| | | "run": 80, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00080.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904692", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5b5c2cf5-7d97-41a4-b4c6-ba0b0541d9b9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376215", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00080.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 728, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 80, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00080.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904693", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "dd0f50d3-fb11-4713-ad58-8591d06e9198", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376322", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00081.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 729, |
| | | "resource_type": "control", |
| | | "run": 81, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00081.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904694", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "ed2d2ed6-45f1-4984-8d32-98852f36b00f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376428", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00081.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 730, |
| | | "resource_type": "forcefield-files", |
| | | "run": 81, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00081.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904695", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "d521d5fa-4dfd-469d-9573-c9f62b93fb7c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376534", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00081.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 731, |
| | | "resource_type": "trajectory", |
| | | "run": 81, |
| | | "size": 34074916, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00081.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904697", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "63477255-34d2-4134-93b9-a571e222ab2e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376641", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00081.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 732, |
| | | "resource_type": "input-coordinates", |
| | | "run": 81, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00081.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904698", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "fc6d0c77-fd13-4450-99e1-6ffa87668f45", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376749", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00081.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 733, |
| | | "resource_type": "log", |
| | | "run": 81, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00081.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904700", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "1ea23414-0c3d-477b-a2a1-e72b852ff64f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376856", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00081.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 734, |
| | | "resource_type": "energy", |
| | | "run": 81, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00081.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904701", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "5c8cc22b-e028-4089-a025-ab593df6200e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.376963", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00081.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 735, |
| | | "resource_type": "topology", |
| | | "run": 81, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00081.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904702", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a28b2789-5dd6-4974-8538-20f313dc8536", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377069", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00081.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 736, |
| | | "resource_type": "final-coordinates", |
| | | "run": 81, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00081.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904704", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d111a04c-9350-4a6d-baf0-ab2202efc445", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377176", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00081.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 737, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 81, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00081.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904705", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "9bf1d2d9-1f9a-4186-ab86-ab44090213ef", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377282", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00082.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 738, |
| | | "resource_type": "control", |
| | | "run": 82, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00082.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904706", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "bdfa5880-5c99-4678-b3d1-73b313009f21", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377390", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00082.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 739, |
| | | "resource_type": "forcefield-files", |
| | | "run": 82, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00082.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904708", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "5f809f2d-8e16-41c6-a923-cabbd1308760", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377496", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00082.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 740, |
| | | "resource_type": "trajectory", |
| | | "run": 82, |
| | | "size": 34074104, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00082.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904709", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5673c970-1082-486d-9520-229c3a5cd85a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377602", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00082.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 741, |
| | | "resource_type": "input-coordinates", |
| | | "run": 82, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00082.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904710", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "87e30901-c470-45ec-a1c9-81ac29f2b1e8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377715", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00082.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 742, |
| | | "resource_type": "log", |
| | | "run": 82, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00082.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904712", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "f32675a4-3f85-47d4-9baf-073d8a470fc1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377821", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00082.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 743, |
| | | "resource_type": "energy", |
| | | "run": 82, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00082.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904713", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "39a891ad-0e1b-4cb1-b57c-1faed5365be3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.377927", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00082.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 744, |
| | | "resource_type": "topology", |
| | | "run": 82, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00082.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904715", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "454e3dd0-4b02-43f1-b802-6e09666b139c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378033", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00082.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 745, |
| | | "resource_type": "final-coordinates", |
| | | "run": 82, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00082.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904716", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e5244ce5-3085-413e-b789-251d102ec62e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378138", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00082.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 746, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 82, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00082.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904717", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "fada3efc-9e1d-4db0-86b0-da1923d0b377", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378244", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00083.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 747, |
| | | "resource_type": "control", |
| | | "run": 83, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00083.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904719", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "09be7631-794e-4b15-aaaf-bd232dcca0b6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378351", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00083.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 748, |
| | | "resource_type": "forcefield-files", |
| | | "run": 83, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00083.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904720", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "186bc492-44c4-4694-8211-f288325bbbe4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378457", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00083.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 749, |
| | | "resource_type": "trajectory", |
| | | "run": 83, |
| | | "size": 34077092, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00083.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904721", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "2aa6f221-ef51-44b0-9345-d9a4ac9a26a5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378563", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00083.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 750, |
| | | "resource_type": "input-coordinates", |
| | | "run": 83, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00083.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904723", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "066af8b1-23b5-4f26-91fb-0233a1bb6bd2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378669", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00083.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 751, |
| | | "resource_type": "log", |
| | | "run": 83, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00083.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904724", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "37b28d7c-0277-4a22-befc-959b9e714a8c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378776", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00083.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 752, |
| | | "resource_type": "energy", |
| | | "run": 83, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00083.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904725", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "e50937b1-d8e1-4101-97dc-09627608f572", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378882", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00083.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 753, |
| | | "resource_type": "topology", |
| | | "run": 83, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00083.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904726", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ebdfd324-d2bd-4f50-8c22-c378ab469738", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.378988", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00083.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 754, |
| | | "resource_type": "final-coordinates", |
| | | "run": 83, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00083.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904728", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e36d2831-5dee-47f1-aff3-79d551c12a7e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379102", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00083.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 755, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 83, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00083.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904729", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "4a061751-6c11-4f85-8b9e-e01d2aa0efe1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379210", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00084.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 756, |
| | | "resource_type": "control", |
| | | "run": 84, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00084.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904730", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "63b2e519-48f4-49f8-980e-40a50c31c0be", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379317", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00084.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 757, |
| | | "resource_type": "forcefield-files", |
| | | "run": 84, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00084.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904731", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "848c38f1-f911-4e8f-8494-3b0082398df9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379423", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00084.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 758, |
| | | "resource_type": "trajectory", |
| | | "run": 84, |
| | | "size": 34078204, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00084.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904733", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "120d17db-c4ba-4b07-8725-24fb16671f3b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379529", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00084.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 759, |
| | | "resource_type": "input-coordinates", |
| | | "run": 84, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00084.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904734", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "dc0b39f5-a8f1-4103-aff8-f33a8ccf9b45", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379653", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00084.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 760, |
| | | "resource_type": "log", |
| | | "run": 84, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00084.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904735", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "de81eae9-a89e-48d0-9a0c-9cdf8fcff07a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379772", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00084.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 761, |
| | | "resource_type": "energy", |
| | | "run": 84, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00084.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904737", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "5ee587d2-2963-4a77-a1fb-3c3ee8261646", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379881", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00084.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 762, |
| | | "resource_type": "topology", |
| | | "run": 84, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00084.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904738", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5554c35e-e801-49d5-838d-2f12e1678ae1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.379990", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00084.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 763, |
| | | "resource_type": "final-coordinates", |
| | | "run": 84, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00084.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904739", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b09f78eb-b316-4511-ac71-dd07661d7757", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380096", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00084.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 764, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 84, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00084.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904740", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "7b71c8b6-dca6-4684-9ca8-e60bac24f47d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380203", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00085.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 765, |
| | | "resource_type": "control", |
| | | "run": 85, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00085.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904742", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "7d2d9c0a-9780-4a65-af6f-e52f18fd7d10", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380310", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00085.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 766, |
| | | "resource_type": "forcefield-files", |
| | | "run": 85, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00085.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904743", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "b70e1e14-3863-444a-97cd-532bbfbd44a4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380416", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00085.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 767, |
| | | "resource_type": "trajectory", |
| | | "run": 85, |
| | | "size": 34074452, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00085.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904744", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "49ee8e4d-ccf7-4f29-89a9-5bb53168bfe1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380523", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00085.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 768, |
| | | "resource_type": "input-coordinates", |
| | | "run": 85, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00085.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904746", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "331010ec-2da3-4331-b225-86cba15e6a20", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380630", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00085.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 769, |
| | | "resource_type": "log", |
| | | "run": 85, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00085.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904747", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "f2f2bb71-7e58-4c1b-ae0f-861d255dd4c5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380742", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00085.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 770, |
| | | "resource_type": "energy", |
| | | "run": 85, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00085.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904748", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "45bbec65-4b7f-490e-bb6e-c2f12adaa797", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380849", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00085.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 771, |
| | | "resource_type": "topology", |
| | | "run": 85, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00085.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904750", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d108e3b0-6f78-4afd-b582-862dd70638c0", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.380958", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00085.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 772, |
| | | "resource_type": "final-coordinates", |
| | | "run": 85, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00085.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904751", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a1ecc0fb-a3ea-49f1-9a0e-8a4cf65e4dc1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381064", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00085.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 773, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 85, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00085.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904752", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "62e266bc-9907-4087-9b9d-6b2ecd8ffc99", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381170", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00086.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 774, |
| | | "resource_type": "control", |
| | | "run": 86, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00086.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904754", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "22a92f37-55f2-4963-9e25-dcb02d43628a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381281", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00086.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 775, |
| | | "resource_type": "forcefield-files", |
| | | "run": 86, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00086.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904755", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "99554400-9b74-486a-b918-b9d2aa9139aa", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381388", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00086.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 776, |
| | | "resource_type": "trajectory", |
| | | "run": 86, |
| | | "size": 34071300, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00086.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904756", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "aecbf1d6-d70f-4315-baf7-2e2bb8b7c0b6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381495", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00086.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 777, |
| | | "resource_type": "input-coordinates", |
| | | "run": 86, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00086.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904757", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "f4d11044-2c04-42c1-aa90-5295d777f2cf", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381600", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00086.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 778, |
| | | "resource_type": "log", |
| | | "run": 86, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00086.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904758", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "f3fb4cfa-f399-40a0-8069-27e9e92ab52d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381706", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00086.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 779, |
| | | "resource_type": "energy", |
| | | "run": 86, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00086.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904760", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "21cbdbb1-46be-44b8-8124-5460ca54ef4d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381819", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00086.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 780, |
| | | "resource_type": "topology", |
| | | "run": 86, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00086.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904761", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5f683f7a-9521-4855-85b0-67f3b68e90a2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.381926", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00086.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 781, |
| | | "resource_type": "final-coordinates", |
| | | "run": 86, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00086.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904762", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6be75158-1c83-4097-a428-60395c5185de", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.382034", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00086.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 782, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 86, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00086.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904763", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "709941ba-1873-44c1-9c93-1d19cbacb52f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.382141", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00087.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 783, |
| | | "resource_type": "control", |
| | | "run": 87, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00087.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904765", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "49246eac-3498-4b27-97c7-4a6b63d000db", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.383585", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00087.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 784, |
| | | "resource_type": "forcefield-files", |
| | | "run": 87, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00087.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904766", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "683231e2-b4a3-429b-82fb-d7713497494d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.383711", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00087.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 785, |
| | | "resource_type": "trajectory", |
| | | "run": 87, |
| | | "size": 34069840, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00087.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904767", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "190d61b4-860b-4361-9dd0-5435ef9d05a7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.383824", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00087.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 786, |
| | | "resource_type": "input-coordinates", |
| | | "run": 87, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00087.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904769", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "98f82990-c1bd-4ce4-a59d-1a20214ce41c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.383935", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00087.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 787, |
| | | "resource_type": "log", |
| | | "run": 87, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00087.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904770", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "b304d339-1720-436c-9b17-668ffb1a3970", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384044", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00087.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 788, |
| | | "resource_type": "energy", |
| | | "run": 87, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00087.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904771", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "fb060a07-89d5-4fc3-b36d-22f81b4ffc3b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384153", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00087.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 789, |
| | | "resource_type": "topology", |
| | | "run": 87, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00087.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904772", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "cc3d350a-f84f-45c5-b4c5-0dfe0826c0a6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384263", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00087.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 790, |
| | | "resource_type": "final-coordinates", |
| | | "run": 87, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00087.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904774", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "505650ab-aef6-4284-9a16-7bd97a81ff4c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384371", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00087.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 791, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 87, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00087.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904775", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "ed1dacae-feae-48e8-a035-29dc3ba8ec9f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384479", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00088.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 792, |
| | | "resource_type": "control", |
| | | "run": 88, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00088.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904776", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "32e353c3-2a02-4889-aacf-bd0aba187326", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384586", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00088.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 793, |
| | | "resource_type": "forcefield-files", |
| | | "run": 88, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00088.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904778", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "e326b735-0a31-4ac7-a7d4-dec83e9d31ae", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384701", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00088.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 794, |
| | | "resource_type": "trajectory", |
| | | "run": 88, |
| | | "size": 34070528, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00088.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904779", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "160fc893-ced4-484f-b337-45bb7812b6b6", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384809", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00088.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 795, |
| | | "resource_type": "input-coordinates", |
| | | "run": 88, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00088.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904781", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "511807af-8c70-40ab-8a21-d3f9cde5959a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.384917", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00088.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 796, |
| | | "resource_type": "log", |
| | | "run": 88, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00088.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904782", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "1709a979-7deb-4e77-8175-e74715d36f4c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385024", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00088.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 797, |
| | | "resource_type": "energy", |
| | | "run": 88, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00088.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904783", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "33f44c3b-7963-4298-8ea6-c62fadfa376e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385131", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00088.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 798, |
| | | "resource_type": "topology", |
| | | "run": 88, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00088.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904784", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "86b8aba3-076f-4d20-a639-a17f578bb498", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385237", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00088.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 799, |
| | | "resource_type": "final-coordinates", |
| | | "run": 88, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00088.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904786", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "91f398aa-4df1-4b55-a017-852911ffb82e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385344", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00088.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 800, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 88, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00088.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904787", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "323e6c73-dca6-473c-9402-11a7bd60cf20", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385451", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00089.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 801, |
| | | "resource_type": "control", |
| | | "run": 89, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00089.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904788", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "2f5b5c5f-45b7-45f9-ad69-edc4670d5fad", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385556", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00089.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 802, |
| | | "resource_type": "forcefield-files", |
| | | "run": 89, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00089.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904790", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "ca55ab5a-c1ba-4952-8e30-c311cb476712", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385662", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00089.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 803, |
| | | "resource_type": "trajectory", |
| | | "run": 89, |
| | | "size": 34074496, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00089.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904791", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "3bb1cc5b-217d-4dda-ad89-93bdb1e2fd54", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385768", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00089.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 804, |
| | | "resource_type": "input-coordinates", |
| | | "run": 89, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00089.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904792", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "11979493-119a-4569-8a2d-acc2308d1303", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385874", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00089.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 805, |
| | | "resource_type": "log", |
| | | "run": 89, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00089.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904793", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "7e280309-8f2f-4572-a356-d668d1f6bfb4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.385981", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00089.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 806, |
| | | "resource_type": "energy", |
| | | "run": 89, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00089.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904795", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "6522f402-6791-4747-b3bd-7cb9edb8659b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386089", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00089.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 807, |
| | | "resource_type": "topology", |
| | | "run": 89, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00089.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904796", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "bbc21ef3-f22f-47ac-89a1-ae5c01b27831", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386196", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00089.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 808, |
| | | "resource_type": "final-coordinates", |
| | | "run": 89, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00089.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904797", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "679f97de-2f79-47ae-bc0b-2acbc8bfc934", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386302", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00089.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 809, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 89, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00089.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904799", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "32613bc6-b069-4261-a9b1-719e791201e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386410", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00090.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 810, |
| | | "resource_type": "control", |
| | | "run": 90, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00090.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904800", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "6ac26cd5-0dac-40b3-8b58-1564c4f964a5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386517", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00090.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 811, |
| | | "resource_type": "forcefield-files", |
| | | "run": 90, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00090.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904801", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "4f378316-39ab-4c54-bb08-2a1f02c0b88c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386624", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00090.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 812, |
| | | "resource_type": "trajectory", |
| | | "run": 90, |
| | | "size": 34071272, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00090.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904803", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "53822c48-94d8-4d0d-bc73-0099b97d19df", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386732", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00090.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 813, |
| | | "resource_type": "input-coordinates", |
| | | "run": 90, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00090.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904804", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "a7086422-02a1-4edc-a95e-ec2a02b8c8c5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386838", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00090.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 814, |
| | | "resource_type": "log", |
| | | "run": 90, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00090.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904805", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "969d1747-3f42-449c-8e08-e55de3ca4c90", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.386945", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00090.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 815, |
| | | "resource_type": "energy", |
| | | "run": 90, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00090.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904806", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "810e5d2c-4165-4789-b55a-0f2b707d65d8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387051", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00090.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 816, |
| | | "resource_type": "topology", |
| | | "run": 90, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00090.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904808", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "b76febf6-d358-41fe-a362-638540d7882c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387171", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00090.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 817, |
| | | "resource_type": "final-coordinates", |
| | | "run": 90, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00090.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904809", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "e4572548-df5a-4c34-bd51-96011a3d23dd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387281", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00090.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 818, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 90, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00090.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904810", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "25eba599-062e-48d6-8f76-9535b4352808", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387389", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00091.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 819, |
| | | "resource_type": "control", |
| | | "run": 91, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00091.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904811", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "eb8e6cfb-59df-4c72-9c6c-e3a69a50fb6b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387497", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00091.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 820, |
| | | "resource_type": "forcefield-files", |
| | | "run": 91, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00091.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904813", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "fcc8da11-647a-403a-b2db-4f95f9915ce7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387604", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00091.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 821, |
| | | "resource_type": "trajectory", |
| | | "run": 91, |
| | | "size": 34070416, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00091.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904814", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "6c221ace-8d39-4c7a-9b34-6c3fd4849871", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387717", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00091.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 822, |
| | | "resource_type": "input-coordinates", |
| | | "run": 91, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00091.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904816", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "cf5101d3-c530-4f68-851a-2b2fc9913b12", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387824", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00091.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 823, |
| | | "resource_type": "log", |
| | | "run": 91, |
| | | "size": 39784, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00091.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904817", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "cf011cce-c05e-4232-8a57-49888d30f4b9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.387932", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00091.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 824, |
| | | "resource_type": "energy", |
| | | "run": 91, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00091.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904818", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "2a4c27ae-5e27-4d10-a872-7f8949b63ef4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388039", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00091.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 825, |
| | | "resource_type": "topology", |
| | | "run": 91, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00091.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904820", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c60048ed-366b-4f5c-8c83-6ef3b273b949", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388145", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00091.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 826, |
| | | "resource_type": "final-coordinates", |
| | | "run": 91, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00091.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904821", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "d8e9e256-4a5d-4207-b7eb-93f79160a21a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388252", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00091.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 827, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 91, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00091.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904823", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "fcab1e90-190a-4280-b4db-4ac7772588fe", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388359", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00092.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 828, |
| | | "resource_type": "control", |
| | | "run": 92, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00092.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904824", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "26b7f342-b019-4b00-ab11-145c1401ea3f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388465", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00092.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 829, |
| | | "resource_type": "forcefield-files", |
| | | "run": 92, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00092.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904825", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "06edd2de-b9b5-48fa-97d2-1832da35f8ef", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388571", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00092.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 830, |
| | | "resource_type": "trajectory", |
| | | "run": 92, |
| | | "size": 34070488, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00092.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904826", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ebe8ff91-55e9-4113-afe4-f280d4853508", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388676", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00092.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 831, |
| | | "resource_type": "input-coordinates", |
| | | "run": 92, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00092.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904828", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "779068c1-528b-48c6-9f04-09b893096cc8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388783", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00092.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 832, |
| | | "resource_type": "log", |
| | | "run": 92, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00092.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904829", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "79222301-3aca-45c5-99ec-702ae34f0f25", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388890", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00092.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 833, |
| | | "resource_type": "energy", |
| | | "run": 92, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00092.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904830", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "18447e48-4688-4e1e-a661-9cf35978c39d", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.388998", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00092.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 834, |
| | | "resource_type": "topology", |
| | | "run": 92, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00092.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904832", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "12a60a62-70e0-43e3-bdc3-0f3e2b96f7ca", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389103", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00092.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 835, |
| | | "resource_type": "final-coordinates", |
| | | "run": 92, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00092.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904833", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "1af1aa10-4bae-4317-905b-56cff365e3ab", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389209", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00092.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 836, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 92, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00092.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904834", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "a69531b1-4865-4c3e-bf42-8cd10889c086", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389315", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00093.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 837, |
| | | "resource_type": "control", |
| | | "run": 93, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00093.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904836", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "ed64099f-fcd9-46a3-a2d6-0e9459482cd1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389428", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00093.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 838, |
| | | "resource_type": "forcefield-files", |
| | | "run": 93, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00093.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904837", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "69bc7e03-443e-47d1-9832-a2134887a8be", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389534", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00093.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 839, |
| | | "resource_type": "trajectory", |
| | | "run": 93, |
| | | "size": 34071052, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00093.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904838", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "49e23d0d-83b8-4db3-bcd1-d5e26162575c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389645", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00093.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 840, |
| | | "resource_type": "input-coordinates", |
| | | "run": 93, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00093.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904839", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "5c98af1d-21db-4079-8022-17dee519f239", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389756", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00093.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 841, |
| | | "resource_type": "log", |
| | | "run": 93, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00093.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904841", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "4526c42d-6136-46ac-9184-ed679da4f8f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389864", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00093.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 842, |
| | | "resource_type": "energy", |
| | | "run": 93, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00093.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904842", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "8e6838a6-bd94-4ae0-bad1-b881975f3b70", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.389971", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00093.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 843, |
| | | "resource_type": "topology", |
| | | "run": 93, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00093.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904843", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "204b1f8d-660a-4441-a247-681d3ea9d481", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390079", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00093.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 844, |
| | | "resource_type": "final-coordinates", |
| | | "run": 93, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00093.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904844", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "8647e1b6-3bdb-4c53-ad3a-4388bb708f2f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390188", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00093.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 845, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 93, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00093.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904846", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "6446ea51-6762-4602-997f-bd5b28c866a8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390296", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00094.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 846, |
| | | "resource_type": "control", |
| | | "run": 94, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00094.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904847", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "401a1d68-ef0f-4cac-aca4-b3ae181ea029", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390404", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00094.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 847, |
| | | "resource_type": "forcefield-files", |
| | | "run": 94, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00094.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904848", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "3bdd9a31-d236-4516-9c74-aea787418c90", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390511", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00094.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 848, |
| | | "resource_type": "trajectory", |
| | | "run": 94, |
| | | "size": 34068084, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00094.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904850", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "7261172f-3c78-48cc-b06d-3bec71933475", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390617", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00094.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 849, |
| | | "resource_type": "input-coordinates", |
| | | "run": 94, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00094.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904851", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "5a71b2f7-2fdf-4468-b56f-ac49fc02bd06", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390724", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00094.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 850, |
| | | "resource_type": "log", |
| | | "run": 94, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00094.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904852", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "da60eef0-ebd5-4c72-b219-9d21d4f334d5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390831", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00094.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 851, |
| | | "resource_type": "energy", |
| | | "run": 94, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00094.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904853", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "b306c29b-2c80-4e85-bec5-477e31fe475a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.390938", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00094.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 852, |
| | | "resource_type": "topology", |
| | | "run": 94, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00094.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904855", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "4bab5891-18b9-4b6e-9092-3fb35fb0e6b5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391044", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00094.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 853, |
| | | "resource_type": "final-coordinates", |
| | | "run": 94, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00094.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904856", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "629a60e7-055e-4869-a372-870e17030efb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391161", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00094.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 854, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 94, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00094.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904857", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "94479c98-4897-4936-a9d8-1d6045be86f8", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391269", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00095.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 855, |
| | | "resource_type": "control", |
| | | "run": 95, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00095.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904858", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "e69b971b-0a2d-49c3-8498-fe2a6beef18b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391377", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00095.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 856, |
| | | "resource_type": "forcefield-files", |
| | | "run": 95, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00095.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904860", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "6b0c0667-78bf-4b88-ab74-d978a83cd892", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391485", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00095.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 857, |
| | | "resource_type": "trajectory", |
| | | "run": 95, |
| | | "size": 34072648, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00095.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904861", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "cf4e44f9-0695-4c25-8b8e-2368cc223bbb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391592", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00095.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 858, |
| | | "resource_type": "input-coordinates", |
| | | "run": 95, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00095.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904862", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "1056a326-40f0-480e-b9a4-819b003c12ce", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391700", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00095.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 859, |
| | | "resource_type": "log", |
| | | "run": 95, |
| | | "size": 39783, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00095.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904863", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "28f018ff-f934-4651-94cf-231fdec13053", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.391807", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00095.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 860, |
| | | "resource_type": "energy", |
| | | "run": 95, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00095.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904865", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "b8623141-e6e3-4a86-8fe2-d06151fad055", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.455456", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00095.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 861, |
| | | "resource_type": "topology", |
| | | "run": 95, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00095.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904866", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "5e93c1b1-45a2-472e-905b-5f78e83813a1", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.455610", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00095.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 862, |
| | | "resource_type": "final-coordinates", |
| | | "run": 95, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00095.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904867", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "c0b14dd2-23e9-4cd4-a597-5a7cf48109dd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.455730", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00095.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 863, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 95, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00095.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904868", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "d9ddd0f1-155c-48b8-953a-cb0e00a1759a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.455845", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00096.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 864, |
| | | "resource_type": "control", |
| | | "run": 96, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00096.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904870", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "23a9579a-aab0-435b-8f76-4c6d50aaaacb", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.455957", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00096.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 865, |
| | | "resource_type": "forcefield-files", |
| | | "run": 96, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00096.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904871", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "ccdad6be-c269-43b5-82eb-1796b75a38e2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456070", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00096.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 866, |
| | | "resource_type": "trajectory", |
| | | "run": 96, |
| | | "size": 34072672, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00096.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904872", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "552d6a80-8906-4eba-9443-d1aa901d79a5", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456182", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00096.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 867, |
| | | "resource_type": "input-coordinates", |
| | | "run": 96, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00096.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904873", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "b282244a-45a7-42d3-89f7-bbe7c0f18478", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456293", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00096.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 868, |
| | | "resource_type": "log", |
| | | "run": 96, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00096.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904875", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "54e29a56-d2c2-477b-9bfa-3dbe72fbe54b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456404", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00096.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 869, |
| | | "resource_type": "energy", |
| | | "run": 96, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00096.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904876", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "4742d272-d321-4f98-b351-b2a577971e6c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456514", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00096.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 870, |
| | | "resource_type": "topology", |
| | | "run": 96, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00096.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904877", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "83ea0ae4-90cf-40e1-b6bb-edbe17f202e4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456625", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00096.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 871, |
| | | "resource_type": "final-coordinates", |
| | | "run": 96, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00096.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904878", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a928d923-0358-4f90-b269-33db49a4b889", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456734", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00096.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 872, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 96, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00096.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904880", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "87fe7234-e70f-4782-8e10-f760cfb3eeab", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456844", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00097.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 873, |
| | | "resource_type": "control", |
| | | "run": 97, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00097.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904881", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "555e7ae7-c872-426a-89f0-d7c8906be2c7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.456952", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00097.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 874, |
| | | "resource_type": "forcefield-files", |
| | | "run": 97, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00097.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904882", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "743dd6d0-26dd-4cf5-a186-44d9af1cbbfe", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457064", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00097.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 875, |
| | | "resource_type": "trajectory", |
| | | "run": 97, |
| | | "size": 34072696, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00097.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904883", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "9bd25e1f-a50f-41e1-a86d-c7877e064897", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457173", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00097.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 876, |
| | | "resource_type": "input-coordinates", |
| | | "run": 97, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00097.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904885", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "dadb2b9c-7442-411d-b9c8-3ed514b06d3b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457281", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00097.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 877, |
| | | "resource_type": "log", |
| | | "run": 97, |
| | | "size": 39781, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00097.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904886", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "414be618-fb80-4cb7-a462-46480a20b55e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457390", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00097.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 878, |
| | | "resource_type": "energy", |
| | | "run": 97, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00097.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904887", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "3ff82ec8-c42f-4c23-b4ff-e6d0fe1ff63c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457498", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00097.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 879, |
| | | "resource_type": "topology", |
| | | "run": 97, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00097.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904888", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "ee403a32-b35f-4dbe-9f06-42601b277e1b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457606", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00097.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 880, |
| | | "resource_type": "final-coordinates", |
| | | "run": 97, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00097.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904890", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "42dd28cc-11f0-4379-8410-f533b7e66608", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457720", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00097.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 881, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 97, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00097.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904891", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "93cc8e83-2fe2-412e-9290-43f9ba789cc2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457827", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00098.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 882, |
| | | "resource_type": "control", |
| | | "run": 98, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00098.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904892", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "b3a6b72a-2aab-40e7-9240-85071eb5a89b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.457934", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00098.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 883, |
| | | "resource_type": "forcefield-files", |
| | | "run": 98, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00098.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904893", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "31c0dcab-ae87-4d6a-bdd4-25665fe95681", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458041", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00098.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 884, |
| | | "resource_type": "trajectory", |
| | | "run": 98, |
| | | "size": 34071608, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00098.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904895", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "3d4eeb52-20ab-4fc1-b4ca-c30e39dc151a", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458148", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00098.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 885, |
| | | "resource_type": "input-coordinates", |
| | | "run": 98, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00098.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904896", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "4d321458-d31f-4187-8cfd-9adf10267dce", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458255", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00098.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 886, |
| | | "resource_type": "log", |
| | | "run": 98, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00098.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904897", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "ce991e99-89a5-4285-a467-2ee6d2ca66af", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458363", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00098.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 887, |
| | | "resource_type": "energy", |
| | | "run": 98, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00098.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904898", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "ce0f3c0f-0442-4be7-84c0-23dd81ea001b", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458470", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00098.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 888, |
| | | "resource_type": "topology", |
| | | "run": 98, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00098.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904900", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "42673235-1708-4587-88a6-9fe995b14235", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458578", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00098.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 889, |
| | | "resource_type": "final-coordinates", |
| | | "run": 98, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00098.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904901", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "036ffec3-b9b1-4484-8005-4c73e908d9c9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458684", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00098.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 890, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 98, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00098.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904902", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "b431d994-6cf0-404e-9c3f-08bf0768ced4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458791", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00099.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 891, |
| | | "resource_type": "control", |
| | | "run": 99, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00099.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904904", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "c529cdf8-17db-4fc7-bec6-7107a2cc0458", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.458898", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00099.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 892, |
| | | "resource_type": "forcefield-files", |
| | | "run": 99, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00099.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904905", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "b0b144d7-2847-4fc8-83f8-ea3a99aa0d6c", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459006", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00099.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 893, |
| | | "resource_type": "trajectory", |
| | | "run": 99, |
| | | "size": 34073896, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00099.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904906", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "cbc6cb98-abb2-4191-948a-d0d3ab6f035e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459122", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00099.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 894, |
| | | "resource_type": "input-coordinates", |
| | | "run": 99, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00099.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904908", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "910f10bc-7c5c-4999-9acf-1ac5978be9a7", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459231", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00099.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 895, |
| | | "resource_type": "log", |
| | | "run": 99, |
| | | "size": 39782, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00099.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904909", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "c33e3ea7-03a5-4479-9774-93e31e6cc5c3", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459340", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00099.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 896, |
| | | "resource_type": "energy", |
| | | "run": 99, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00099.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904910", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "b6591ca0-da5d-4acb-a804-8c53d0258057", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459449", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00099.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 897, |
| | | "resource_type": "topology", |
| | | "run": 99, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00099.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904911", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "80f0cabc-0b85-440c-8c5f-55c84a2bf1f9", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459556", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00099.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 898, |
| | | "resource_type": "final-coordinates", |
| | | "run": 99, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00099.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904913", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "caa850c8-35c9-4ba0-8409-a299d9d56a3f", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459671", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00099.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 899, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 99, |
| | | "size": 21713808, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00099.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904914", |
| | | "description": null, |
| | | "format": "mdp", |
| | | "hash": "", |
| | | "id": "75fe316b-0c8e-4f6a-b7f7-a486e23801a4", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459779", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00100.mdp", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 900, |
| | | "resource_type": "control", |
| | | "run": 100, |
| | | "size": 3901, |
| | | "state": "active", |
| | | "url": |
| | | m-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_control_00100.mdp", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904915", |
| | | "description": null, |
| | | "format": "tpr", |
| | | "hash": "", |
| | | "id": "3a307148-743c-4185-8680-82c3172c860e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459886", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00100.tpr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 901, |
| | | "resource_type": "forcefield-files", |
| | | "run": 100, |
| | | "size": 11403632, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_tpr_00100.tpr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904916", |
| | | "description": null, |
| | | "format": "xtc", |
| | | "hash": "", |
| | | "id": "5aeae6ab-b26c-4b5a-9386-7a1f5a78a64e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.459993", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00100.xtc", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 902, |
| | | "resource_type": "trajectory", |
| | | "run": 100, |
| | | "size": 34073276, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_trajectory_00100.xtc", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904918", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "128fcd45-6295-4218-a2fa-8f3fe08655cd", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.460100", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00100.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 903, |
| | | "resource_type": "input-coordinates", |
| | | "run": 100, |
| | | "size": 21713810, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_input-coordinates_00100.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904919", |
| | | "description": null, |
| | | "format": "log", |
| | | "hash": "", |
| | | "id": "57810803-2569-44fe-8cfc-b3bdf93dd397", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.460207", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00100.log", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 904, |
| | | "resource_type": "log", |
| | | "run": 100, |
| | | "size": 39788, |
| | | "state": "active", |
| | | "url": |
| | | acuum-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_log_00100.log", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904920", |
| | | "description": null, |
| | | "format": "edr", |
| | | "hash": "", |
| | | "id": "b3767e06-a5e3-45c9-91dd-634cedc51bd2", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.460313", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00100.edr", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 905, |
| | | "resource_type": "energy", |
| | | "run": 100, |
| | | "size": 601232, |
| | | "state": "active", |
| | | "url": |
| | | um-deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_energy_00100.edr", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904922", |
| | | "description": null, |
| | | "format": "top", |
| | | "hash": "", |
| | | "id": "201dcd99-2e24-48f7-8d85-bb78c5d47856", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.460421", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00100.top", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 906, |
| | | "resource_type": "topology", |
| | | "run": 100, |
| | | "size": 3709, |
| | | "state": "active", |
| | | "url": |
| | | -deposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_topology_00100.top", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904923", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "3a826352-8444-441d-8a55-94ed293c913e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.460528", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00100.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 907, |
| | | "resource_type": "final-coordinates", |
| | | "run": 100, |
| | | "size": 21713793, |
| | | "state": "active", |
| | | "url": |
| | | on_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_final-coordinates_00100.gro", |
| | | "url_type": null |
| | | }, |
| | | { |
| | | "cache_last_updated": null, |
| | | "cache_url": null, |
| | | "created": "2023-05-19T08:31:07.904924", |
| | | "description": null, |
| | | "format": "gro", |
| | | "hash": "", |
| | | "id": "a55f2da8-3079-40eb-abb3-750627e02c5e", |
| | | "last_modified": null, |
| | | "metadata_modified": "2023-05-19T08:31:07.460636", |
| | | "mimetype": null, |
| | | "mimetype_inner": null, |
| | | "name": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00100.gro", |
| | | "owner_org": "mduq", |
| | | "package_id": "be4a5ad4-b2b9-43fa-89de-70f9f4bcc53e", |
| | | "position": 908, |
| | | "resource_type": "reference-coordinates", |
| | | "run": 100, |
| | | "size": 21713809, |
| | | "state": "active", |
| | | "url": |
| | | eposition_Irppy2acac-CBP_5wtpc_anneal-300K_1of2_restraints_00100.gro", |
| | | "url_type": null |
| | | } |
| | | ], |
| "state": "active", | | "state": "active", |
t | "tags": [], | t | "tags": [ |
| "title": "vacuum-deposition_irppy2acac-cbp_5wtpc_anneal-300k_1of2", | | { |
| | | "display_name": "54A7", |
| | | "id": "186c2258-e1ec-4d82-943e-14c6c00ec855", |
| | | "name": "54A7", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "CBP", |
| | | "id": "5fa41c5e-5a4e-41f3-9388-a76269db2c27", |
| | | "name": "CBP", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "GROMOS", |
| | | "id": "9bb1d329-8f1c-4912-b4bf-e8a60edb401b", |
| | | "name": "GROMOS", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "Irppy2acac", |
| | | "id": "7df24153-40a3-4882-9fd5-459ac9d2ac82", |
| | | "name": "Irppy2acac", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "No. atoms at least 10000", |
| | | "id": "dc8da662-312e-4520-88fc-27229dffb7d2", |
| | | "name": "No. atoms at least 10000", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "OLED", |
| | | "id": "f502fd6f-4d6b-4ce6-92e1-d24d6f692fa7", |
| | | "name": "OLED", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "Simulation time at least 1 ns", |
| | | "id": "a6be3da9-e5f1-451f-9be0-614ca44f5c09", |
| | | "name": "Simulation time at least 1 ns", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "Temperature 300-310 K", |
| | | "id": "3329bd7a-f086-445b-872a-fbce5a17c0fd", |
| | | "name": "Temperature 300-310 K", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "organic thin film", |
| | | "id": "7e5c6b65-047e-44e5-9222-a0fda515f341", |
| | | "name": "organic thin film", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "replicate-1 of 2", |
| | | "id": "0cef0e17-954b-46b2-82a2-9b73f50d82ef", |
| | | "name": "replicate-1 of 2", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "thermostat is Berendsen", |
| | | "id": "4fb82905-f20b-444e-9ba9-93e5d793c273", |
| | | "name": "thermostat is Berendsen", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | }, |
| | | { |
| | | "display_name": "vacuum deposited", |
| | | "id": "90e84e01-ff56-4904-a821-3728b3ab6df0", |
| | | "name": "vacuum deposited", |
| | | "state": "active", |
| | | "vocabulary_id": null |
| | | } |
| | | ], |
| | | "title": "Annealing of ~12.5 nm thick vacuum-deposited organic thin |
| | | film of 5 wt% Ir(ppy)2(acac):CBP at 300 K. Replica 1 of 2.", |
| "type": "dataset", | | "type": "dataset", |
| "url": null, | | "url": null, |
| "version": null | | "version": null |
| } | | } |