ความเปลี่ยนแปลง
On 22 เมษายน ค.ศ. 2022 13 นาฬิกา 45 นาที 27 วินาที +1000,
uploader:
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Changed title to POPC_bilayer_1RTD1_repeat3 (previously popc_bilayer_1rtd1_repeat3)
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Updated description of POPC_bilayer_1RTD1_repeat3 to
A lipid bilayer consisting of 512 POPC molecules and 1 RTD-1 (Rhesus Theta Defensin),300ns total, repeat 3
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Added the following tags to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00006.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00002.gro to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00006.gro to POPC_bilayer_1RTD1_repeat3
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Added resource 2lyf_top_corrected_water_ion.top to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_forcefield-files_00002.tpr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00005.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00003.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00005.gro to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00007.gro to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00008.gro to POPC_bilayer_1RTD1_repeat3
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Added resource 2lyf_top_corrected_water_ion_posres50.top to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00006.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00006.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource README_TOPOLOGY.txt to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00009.log to POPC_bilayer_1RTD1_repeat3
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Added resource RTD11_popc512_wbx_100ns_cen000.md.gro_wbxi_raw.top to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00007.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00003.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00009.gro to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00005.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00009.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00005.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00001.gro to POPC_bilayer_1RTD1_repeat3
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Added resource RTD1_POPC_175-200ns_r3.tpr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00001.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource README_TOPOLOGY.txt~ to POPC_bilayer_1RTD1_repeat3
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Added resource RTD1_PH7_CYCLIC.top to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00004.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00007.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00001.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_forcefield-files_00003.tpr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00003.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00003.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_forcefield-files_00001.tpr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00004.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00002.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00008.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00001.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00004.gro to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00002.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00004.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00008.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00008.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00001.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00007.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00006.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00009.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_final-coordinates_00003.gro to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_energy_00002.edr to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00007.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_log_00004.log to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00008.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00009.mdp to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_trajectory_00005.xtc to POPC_bilayer_1RTD1_repeat3
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Added resource POPC_bilayer_1RTD1_repeat3_control_00002.mdp to POPC_bilayer_1RTD1_repeat3
| f | 1 | { | f | 1 | { |
| 2 | "author": null, | 2 | "author": null, | ||
| 3 | "author_email": null, | 3 | "author_email": null, | ||
| 4 | "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8", | 4 | "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8", | ||
| 5 | "extras": [], | 5 | "extras": [], | ||
| 6 | "groups": [], | 6 | "groups": [], | ||
| 7 | "id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | 7 | "id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||
| 8 | "isopen": false, | 8 | "isopen": false, | ||
| 9 | "license_id": null, | 9 | "license_id": null, | ||
| 10 | "license_title": null, | 10 | "license_title": null, | ||
| 11 | "maintainer": null, | 11 | "maintainer": null, | ||
| 12 | "maintainer_email": null, | 12 | "maintainer_email": null, | ||
| 13 | "metadata_created": "2022-04-22T03:45:27.197401", | 13 | "metadata_created": "2022-04-22T03:45:27.197401", | ||
| n | 14 | "metadata_modified": "2022-04-22T03:45:27.197405", | n | 14 | "metadata_modified": "2022-04-22T03:45:27.467378", |
| 15 | "name": "popc_bilayer_1rtd1_repeat3", | 15 | "name": "popc_bilayer_1rtd1_repeat3", | ||
| n | 16 | "notes": null, | n | 16 | "notes": "A lipid bilayer consisting of 512 POPC molecules and 1 |
| 17 | RTD-1 (Rhesus Theta Defensin),300ns total, repeat 3", | ||||
| 17 | "num_resources": 0, | 18 | "num_resources": 55, | ||
| 18 | "num_tags": 0, | 19 | "num_tags": 9, | ||
| 19 | "organization": { | 20 | "organization": { | ||
| 20 | "approval_status": "approved", | 21 | "approval_status": "approved", | ||
| 21 | "created": "2018-08-22T23:34:31.662568", | 22 | "created": "2018-08-22T23:34:31.662568", | ||
| 22 | "description": "The group focuses on understanding and predicting | 23 | "description": "The group focuses on understanding and predicting | ||
| 23 | the macroscopic (experimentally observable) properties of biomolecular | 24 | the macroscopic (experimentally observable) properties of biomolecular | ||
| 24 | systems such as proteins, nucleic acids and lipid aggregates, in terms | 25 | systems such as proteins, nucleic acids and lipid aggregates, in terms | ||
| 25 | of the interactions between atoms. In particular, our work | 26 | of the interactions between atoms. In particular, our work | ||
| 26 | concentrates on the development of tools (i.e. simulation software, | 27 | concentrates on the development of tools (i.e. simulation software, | ||
| 27 | atomic force fields, theoretical models and experimental techniques) | 28 | atomic force fields, theoretical models and experimental techniques) | ||
| 28 | that can be used to understand and predict the physico-chemical basis | 29 | that can be used to understand and predict the physico-chemical basis | ||
| 29 | of interactions and dynamic processes within biomolecular systems. | 30 | of interactions and dynamic processes within biomolecular systems. | ||
| 30 | Specific areas of interest include structure prediction, protein and | 31 | Specific areas of interest include structure prediction, protein and | ||
| 31 | peptide folding, the self-assembly of protein/lipid complexes and the | 32 | peptide folding, the self-assembly of protein/lipid complexes and the | ||
| 32 | calculation of thermodynamic properties such as ligand binding | 33 | calculation of thermodynamic properties such as ligand binding | ||
| 33 | affinities.\r\n\r\n(Image created by Dr D. Poger)", | 34 | affinities.\r\n\r\n(Image created by Dr D. Poger)", | ||
| 34 | "id": "13d88f1a-558b-460e-ad12-400abee89835", | 35 | "id": "13d88f1a-558b-460e-ad12-400abee89835", | ||
| 35 | "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg", | 36 | "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg", | ||
| 36 | "is_organization": true, | 37 | "is_organization": true, | ||
| 37 | "name": "mduq", | 38 | "name": "mduq", | ||
| 38 | "state": "active", | 39 | "state": "active", | ||
| 39 | "title": "Molecular Dynamics Group UQ", | 40 | "title": "Molecular Dynamics Group UQ", | ||
| 40 | "type": "organization" | 41 | "type": "organization" | ||
| 41 | }, | 42 | }, | ||
| 42 | "owner_org": "13d88f1a-558b-460e-ad12-400abee89835", | 43 | "owner_org": "13d88f1a-558b-460e-ad12-400abee89835", | ||
| 43 | "private": false, | 44 | "private": false, | ||
| 44 | "relationships_as_object": [], | 45 | "relationships_as_object": [], | ||
| 45 | "relationships_as_subject": [], | 46 | "relationships_as_subject": [], | ||
| n | 46 | "resources": [], | n | 47 | "resources": [ |
| 48 | { | ||||
| 49 | "cache_last_updated": null, | ||||
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| 51 | "created": "2022-04-22T03:45:27.496504", | ||||
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| 53 | "format": "mdp", | ||||
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| 55 | "id": "07720f50-9c3a-4969-93b6-5112e4f86769", | ||||
| 56 | "last_modified": null, | ||||
| 57 | "metadata_modified": "2022-04-22T03:45:27.469840", | ||||
| 58 | "mimetype": null, | ||||
| 59 | "mimetype_inner": null, | ||||
| 60 | "name": "POPC_bilayer_1RTD1_repeat3_control_00001.mdp", | ||||
| 61 | "owner_org": "mduq", | ||||
| 62 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 63 | "position": 0, | ||||
| 64 | "resource_type": "control", | ||||
| 65 | "run": 1, | ||||
| 66 | "size": 11448, | ||||
| 67 | "state": "active", | ||||
| 68 | "url": | ||||
| 69 | VaeqwxSgw3A1Wc6PHkIweQo/POPC_bilayer_1RTD1_repeat3_control_00001.mdp", | ||||
| 70 | "url_type": null | ||||
| 71 | }, | ||||
| 72 | { | ||||
| 73 | "cache_last_updated": null, | ||||
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| 75 | "created": "2022-04-22T03:45:27.496508", | ||||
| 76 | "description": null, | ||||
| 77 | "format": "tpr", | ||||
| 78 | "hash": "", | ||||
| 79 | "id": "fc3e9e55-dcc8-42bc-9119-2e6c5c652af4", | ||||
| 80 | "last_modified": null, | ||||
| 81 | "metadata_modified": "2022-04-22T03:45:27.469981", | ||||
| 82 | "mimetype": null, | ||||
| 83 | "mimetype_inner": null, | ||||
| 84 | "name": "RTD1_POPC_175-200ns_r3.tpr", | ||||
| 85 | "owner_org": "mduq", | ||||
| 86 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 87 | "position": 1, | ||||
| 88 | "resource_type": "forcefield-files", | ||||
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| 90 | "size": 8733892, | ||||
| 91 | "state": "active", | ||||
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| 99 | "created": "2022-04-22T03:45:27.496510", | ||||
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| 101 | "format": "tpr", | ||||
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| 108 | "name": "POPC_bilayer_1RTD1_repeat3_forcefield-files_00001.tpr", | ||||
| 109 | "owner_org": "mduq", | ||||
| 110 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 111 | "position": 2, | ||||
| 112 | "resource_type": "forcefield-files", | ||||
| 113 | "run": 1, | ||||
| 114 | "size": 8733892, | ||||
| 115 | "state": "active", | ||||
| 116 | "url": | ||||
| 117 | GrtaC3eqVfmO7M/POPC_bilayer_1RTD1_repeat3_forcefield-files_00001.tpr", | ||||
| 118 | "url_type": null | ||||
| 119 | }, | ||||
| 120 | { | ||||
| 121 | "cache_last_updated": null, | ||||
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| 123 | "created": "2022-04-22T03:45:27.496511", | ||||
| 124 | "description": null, | ||||
| 125 | "format": "xtc", | ||||
| 126 | "hash": "", | ||||
| 127 | "id": "f098d057-9d92-4817-842f-e0573b4d7d40", | ||||
| 128 | "last_modified": null, | ||||
| 129 | "metadata_modified": "2022-04-22T03:45:27.470214", | ||||
| 130 | "mimetype": null, | ||||
| 131 | "mimetype_inner": null, | ||||
| 132 | "name": "POPC_bilayer_1RTD1_repeat3_trajectory_00001.xtc", | ||||
| 133 | "owner_org": "mduq", | ||||
| 134 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 135 | "position": 3, | ||||
| 136 | "resource_type": "trajectory", | ||||
| 137 | "run": 1, | ||||
| 138 | "size": 2860337008, | ||||
| 139 | "state": "active", | ||||
| 140 | "url": | ||||
| 141 | 3otOM4503yVFjTIojBz0/POPC_bilayer_1RTD1_repeat3_trajectory_00001.xtc", | ||||
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| 153 | "metadata_modified": "2022-04-22T03:45:27.470327", | ||||
| 154 | "mimetype": null, | ||||
| 155 | "mimetype_inner": null, | ||||
| 156 | "name": "POPC_bilayer_1RTD1_repeat3_log_00001.log", | ||||
| 157 | "owner_org": "mduq", | ||||
| 158 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 159 | "position": 4, | ||||
| 160 | "resource_type": "log", | ||||
| 161 | "run": 1, | ||||
| 162 | "size": 3041869, | ||||
| 163 | "state": "active", | ||||
| 164 | "url": | ||||
| 165 | u3mu-Ke2K7_yXKidxYYIcap3UsA/POPC_bilayer_1RTD1_repeat3_log_00001.log", | ||||
| 166 | "url_type": null | ||||
| 167 | }, | ||||
| 168 | { | ||||
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| 171 | "created": "2022-04-22T03:45:27.496514", | ||||
| 172 | "description": null, | ||||
| 173 | "format": "edr", | ||||
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| 175 | "id": "26c91a06-e223-4a04-a248-099f8b6183ca", | ||||
| 176 | "last_modified": null, | ||||
| 177 | "metadata_modified": "2022-04-22T03:45:27.470439", | ||||
| 178 | "mimetype": null, | ||||
| 179 | "mimetype_inner": null, | ||||
| 180 | "name": "POPC_bilayer_1RTD1_repeat3_energy_00001.edr", | ||||
| 181 | "owner_org": "mduq", | ||||
| 182 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 183 | "position": 5, | ||||
| 184 | "resource_type": "energy", | ||||
| 185 | "run": 1, | ||||
| 186 | "size": 26203980, | ||||
| 187 | "state": "active", | ||||
| 188 | "url": | ||||
| 189 | b9wm0beVFVQmrybEhUTE_-nk/POPC_bilayer_1RTD1_repeat3_energy_00001.edr", | ||||
| 190 | "url_type": null | ||||
| 191 | }, | ||||
| 192 | { | ||||
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| 195 | "created": "2022-04-22T03:45:27.496515", | ||||
| 196 | "description": null, | ||||
| 197 | "format": "md.gro_wbxi_raw.top", | ||||
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| 199 | "id": "aeca4d49-cba3-44a7-87ca-78312364faaa", | ||||
| 200 | "last_modified": null, | ||||
| 201 | "metadata_modified": "2022-04-22T03:45:27.470552", | ||||
| 202 | "mimetype": null, | ||||
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| 204 | "name": "RTD11_popc512_wbx_100ns_cen000.md.gro_wbxi_raw.top", | ||||
| 205 | "owner_org": "mduq", | ||||
| 206 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 207 | "position": 6, | ||||
| 208 | "resource_type": "topology", | ||||
| 209 | "run": 1, | ||||
| 210 | "size": 47668, | ||||
| 211 | "state": "active", | ||||
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| 228 | "name": "2lyf_top_corrected_water_ion.top", | ||||
| 229 | "owner_org": "mduq", | ||||
| 230 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 231 | "position": 7, | ||||
| 232 | "resource_type": "topology", | ||||
| 233 | "run": 1, | ||||
| 234 | "size": 47983, | ||||
| 235 | "state": "active", | ||||
| 236 | "url": | ||||
| 237 | tKwFhv2stbpS5PhYCk_qGTRwgEtuDhBGPRM/2lyf_top_corrected_water_ion.top", | ||||
| 238 | "url_type": null | ||||
| 239 | }, | ||||
| 240 | { | ||||
| 241 | "cache_last_updated": null, | ||||
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| 245 | "format": "top", | ||||
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| 247 | "id": "ec5671fb-4a3c-42b1-86eb-232016963e44", | ||||
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| 249 | "metadata_modified": "2022-04-22T03:45:27.470782", | ||||
| 250 | "mimetype": null, | ||||
| 251 | "mimetype_inner": null, | ||||
| 252 | "name": "2lyf_top_corrected_water_ion_posres50.top", | ||||
| 253 | "owner_org": "mduq", | ||||
| 254 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
| 255 | "position": 8, | ||||
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