Changes
On April 22, 2022 at 1:45:27 PM +1000,
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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_control_00008.mdp 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 2lyf_top_corrected_water_ion.top 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_control_00001.mdp 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_log_00007.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_00002.gro 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_control_00003.mdp 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_control_00006.mdp 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_trajectory_00006.xtc 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 README_TOPOLOGY.txt 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_00002.mdp 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_final-coordinates_00001.gro 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_final-coordinates_00004.gro 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 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_00006.gro 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_energy_00006.edr 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_00007.mdp 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_energy_00001.edr 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_trajectory_00007.xtc 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_forcefield-files_00003.tpr 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_energy_00007.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_energy_00005.edr 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 RTD1_POPC_175-200ns_r3.tpr 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_energy_00008.edr 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_00005.xtc 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_control_00004.mdp 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 README_TOPOLOGY.txt~ 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_log_00001.log 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_control_00005.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": [ |
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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": | ||||
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70 | "url_type": null | ||||
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84 | "name": "RTD1_POPC_175-200ns_r3.tpr", | ||||
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86 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
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88 | "resource_type": "forcefield-files", | ||||
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91 | "state": "active", | ||||
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112 | "resource_type": "forcefield-files", | ||||
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115 | "state": "active", | ||||
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125 | "format": "xtc", | ||||
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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", | ||||
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180 | "name": "POPC_bilayer_1RTD1_repeat3_energy_00001.edr", | ||||
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182 | "package_id": "8aa05733-cbe0-4add-8c1d-99dd12caedb0", | ||||
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184 | "resource_type": "energy", | ||||
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187 | "state": "active", | ||||
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256 | "resource_type": "topology", | ||||
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