ความเปลี่ยนแปลง
On 2 กุมภาพันธ์ ค.ศ. 2023 15 นาฬิกา 54 นาที 49 วินาที +1000,
uploader:
-
No fields were updated. See the metadata diff for more details.
| 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": "baee1840-1440-469f-8e50-a78795749524", | 7 | "id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 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": "2023-01-31T07:03:08.547657", | 13 | "metadata_created": "2023-01-31T07:03:08.547657", | ||
| t | 14 | "metadata_modified": "2023-02-02T05:47:15.956915", | t | 14 | "metadata_modified": "2023-02-02T05:54:49.709123", |
| 15 | "name": | 15 | "name": | ||
| 16 | s_solution_processed_6wtpercent_cbp_irppy2acac_with-choloroform_310k", | 16 | s_solution_processed_6wtpercent_cbp_irppy2acac_with-choloroform_310k", | ||
| 17 | "notes": "A simulation of a 5wt% Ir(ppy)2(acac):CBP organic thinfilm | 17 | "notes": "A simulation of a 5wt% Ir(ppy)2(acac):CBP organic thinfilm | ||
| 18 | that is being formed by solvent evaporation. The solvent used is | 18 | that is being formed by solvent evaporation. The solvent used is | ||
| 19 | chloroform. All 11 files are from different stages of the evaporation | 19 | chloroform. All 11 files are from different stages of the evaporation | ||
| 20 | from the start of the simulation to the dried film.", | 20 | from the start of the simulation to the dried film.", | ||
| 21 | "num_resources": 95, | 21 | "num_resources": 95, | ||
| 22 | "num_tags": 11, | 22 | "num_tags": 11, | ||
| 23 | "organization": { | 23 | "organization": { | ||
| 24 | "approval_status": "approved", | 24 | "approval_status": "approved", | ||
| 25 | "created": "2018-08-22T23:34:31.662568", | 25 | "created": "2018-08-22T23:34:31.662568", | ||
| 26 | "description": "The group focuses on understanding and predicting | 26 | "description": "The group focuses on understanding and predicting | ||
| 27 | the macroscopic (experimentally observable) properties of biomolecular | 27 | the macroscopic (experimentally observable) properties of biomolecular | ||
| 28 | systems such as proteins, nucleic acids and lipid aggregates, in terms | 28 | systems such as proteins, nucleic acids and lipid aggregates, in terms | ||
| 29 | of the interactions between atoms. In particular, our work | 29 | of the interactions between atoms. In particular, our work | ||
| 30 | concentrates on the development of tools (i.e. simulation software, | 30 | concentrates on the development of tools (i.e. simulation software, | ||
| 31 | atomic force fields, theoretical models and experimental techniques) | 31 | atomic force fields, theoretical models and experimental techniques) | ||
| 32 | that can be used to understand and predict the physico-chemical basis | 32 | that can be used to understand and predict the physico-chemical basis | ||
| 33 | of interactions and dynamic processes within biomolecular systems. | 33 | of interactions and dynamic processes within biomolecular systems. | ||
| 34 | Specific areas of interest include structure prediction, protein and | 34 | Specific areas of interest include structure prediction, protein and | ||
| 35 | peptide folding, the self-assembly of protein/lipid complexes and the | 35 | peptide folding, the self-assembly of protein/lipid complexes and the | ||
| 36 | calculation of thermodynamic properties such as ligand binding | 36 | calculation of thermodynamic properties such as ligand binding | ||
| 37 | affinities.\r\n\r\n(Image created by Dr D. Poger)", | 37 | affinities.\r\n\r\n(Image created by Dr D. Poger)", | ||
| 38 | "id": "13d88f1a-558b-460e-ad12-400abee89835", | 38 | "id": "13d88f1a-558b-460e-ad12-400abee89835", | ||
| 39 | "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg", | 39 | "image_url": "2022-01-21-061851.980724mdgrouptoys.jpg", | ||
| 40 | "is_organization": true, | 40 | "is_organization": true, | ||
| 41 | "name": "mduq", | 41 | "name": "mduq", | ||
| 42 | "state": "active", | 42 | "state": "active", | ||
| 43 | "title": "Molecular Dynamics Group UQ", | 43 | "title": "Molecular Dynamics Group UQ", | ||
| 44 | "type": "organization" | 44 | "type": "organization" | ||
| 45 | }, | 45 | }, | ||
| 46 | "owner_org": "13d88f1a-558b-460e-ad12-400abee89835", | 46 | "owner_org": "13d88f1a-558b-460e-ad12-400abee89835", | ||
| 47 | "private": false, | 47 | "private": false, | ||
| 48 | "relationships_as_object": [], | 48 | "relationships_as_object": [], | ||
| 49 | "relationships_as_subject": [], | 49 | "relationships_as_subject": [], | ||
| 50 | "resources": [ | 50 | "resources": [ | ||
| 51 | { | 51 | { | ||
| 52 | "cache_last_updated": null, | 52 | "cache_last_updated": null, | ||
| 53 | "cache_url": null, | 53 | "cache_url": null, | ||
| 54 | "created": "2023-01-31T07:03:09.269867", | 54 | "created": "2023-01-31T07:03:09.269867", | ||
| 55 | "description": null, | 55 | "description": null, | ||
| 56 | "format": "mdp", | 56 | "format": "mdp", | ||
| 57 | "hash": "", | 57 | "hash": "", | ||
| 58 | "id": "56f5cd82-4d61-46ef-bc79-7b9e66f7c87d", | 58 | "id": "56f5cd82-4d61-46ef-bc79-7b9e66f7c87d", | ||
| 59 | "last_modified": null, | 59 | "last_modified": null, | ||
| 60 | "metadata_modified": "2023-01-31T07:03:09.223414", | 60 | "metadata_modified": "2023-01-31T07:03:09.223414", | ||
| 61 | "mimetype": null, | 61 | "mimetype": null, | ||
| 62 | "mimetype_inner": null, | 62 | "mimetype_inner": null, | ||
| 63 | "name": | 63 | "name": | ||
| 64 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00001.mdp", | 64 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00001.mdp", | ||
| 65 | "owner_org": "mduq", | 65 | "owner_org": "mduq", | ||
| 66 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 66 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 67 | "position": 0, | 67 | "position": 0, | ||
| 68 | "resource_type": "control", | 68 | "resource_type": "control", | ||
| 69 | "run": 1, | 69 | "run": 1, | ||
| 70 | "size": 1795, | 70 | "size": 1795, | ||
| 71 | "state": "active", | 71 | "state": "active", | ||
| 72 | "url": | 72 | "url": | ||
| 73 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00001.mdp", | 73 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00001.mdp", | ||
| 74 | "url_type": null | 74 | "url_type": null | ||
| 75 | }, | 75 | }, | ||
| 76 | { | 76 | { | ||
| 77 | "cache_last_updated": null, | 77 | "cache_last_updated": null, | ||
| 78 | "cache_url": null, | 78 | "cache_url": null, | ||
| 79 | "created": "2023-01-31T07:03:09.269883", | 79 | "created": "2023-01-31T07:03:09.269883", | ||
| 80 | "description": null, | 80 | "description": null, | ||
| 81 | "format": "tpr", | 81 | "format": "tpr", | ||
| 82 | "hash": "", | 82 | "hash": "", | ||
| 83 | "id": "439364ff-3d14-4239-9e47-59c92c452cc9", | 83 | "id": "439364ff-3d14-4239-9e47-59c92c452cc9", | ||
| 84 | "last_modified": null, | 84 | "last_modified": null, | ||
| 85 | "metadata_modified": "2023-02-02T05:01:10.049670", | 85 | "metadata_modified": "2023-02-02T05:01:10.049670", | ||
| 86 | "mimetype": null, | 86 | "mimetype": null, | ||
| 87 | "mimetype_inner": null, | 87 | "mimetype_inner": null, | ||
| 88 | "name": | 88 | "name": | ||
| 89 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00001.tpr", | 89 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00001.tpr", | ||
| 90 | "owner_org": "mduq", | 90 | "owner_org": "mduq", | ||
| 91 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 91 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 92 | "position": 1, | 92 | "position": 1, | ||
| 93 | "resource_type": "forcefield-files", | 93 | "resource_type": "forcefield-files", | ||
| 94 | "run": 1, | 94 | "run": 1, | ||
| 95 | "size": 60563724, | 95 | "size": 60563724, | ||
| 96 | "state": "active", | 96 | "state": "active", | ||
| 97 | "url": | 97 | "url": | ||
| 98 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00001.tpr", | 98 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00001.tpr", | ||
| 99 | "url_type": null | 99 | "url_type": null | ||
| 100 | }, | 100 | }, | ||
| 101 | { | 101 | { | ||
| 102 | "cache_last_updated": null, | 102 | "cache_last_updated": null, | ||
| 103 | "cache_url": null, | 103 | "cache_url": null, | ||
| 104 | "created": "2023-01-31T07:03:09.269870", | 104 | "created": "2023-01-31T07:03:09.269870", | ||
| 105 | "description": null, | 105 | "description": null, | ||
| 106 | "format": "itp", | 106 | "format": "itp", | ||
| 107 | "hash": "", | 107 | "hash": "", | ||
| 108 | "id": "736e1af8-6008-4c60-9b60-75a4f92b37f1", | 108 | "id": "736e1af8-6008-4c60-9b60-75a4f92b37f1", | ||
| 109 | "last_modified": null, | 109 | "last_modified": null, | ||
| 110 | "metadata_modified": "2023-01-31T07:03:09.223555", | 110 | "metadata_modified": "2023-01-31T07:03:09.223555", | ||
| 111 | "mimetype": null, | 111 | "mimetype": null, | ||
| 112 | "mimetype_inner": null, | 112 | "mimetype_inner": null, | ||
| 113 | "name": "GRM4x_restr_nobonds_2layers.itp", | 113 | "name": "GRM4x_restr_nobonds_2layers.itp", | ||
| 114 | "owner_org": "mduq", | 114 | "owner_org": "mduq", | ||
| 115 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 115 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 116 | "position": 2, | 116 | "position": 2, | ||
| 117 | "resource_type": "forcefield-files", | 117 | "resource_type": "forcefield-files", | ||
| 118 | "run": 1, | 118 | "run": 1, | ||
| 119 | "size": 7205042, | 119 | "size": 7205042, | ||
| 120 | "state": "active", | 120 | "state": "active", | ||
| 121 | "url": | 121 | "url": | ||
| 122 | qOUyN-xNhvoG12hUjBt8VbA10mFn5BWruZRM/GRM4x_restr_nobonds_2layers.itp", | 122 | qOUyN-xNhvoG12hUjBt8VbA10mFn5BWruZRM/GRM4x_restr_nobonds_2layers.itp", | ||
| 123 | "url_type": null | 123 | "url_type": null | ||
| 124 | }, | 124 | }, | ||
| 125 | { | 125 | { | ||
| 126 | "cache_last_updated": null, | 126 | "cache_last_updated": null, | ||
| 127 | "cache_url": null, | 127 | "cache_url": null, | ||
| 128 | "created": "2023-01-31T07:03:09.269872", | 128 | "created": "2023-01-31T07:03:09.269872", | ||
| 129 | "description": null, | 129 | "description": null, | ||
| 130 | "format": "itp", | 130 | "format": "itp", | ||
| 131 | "hash": "", | 131 | "hash": "", | ||
| 132 | "id": "4bfca55c-5975-451d-9e14-169b204f668b", | 132 | "id": "4bfca55c-5975-451d-9e14-169b204f668b", | ||
| 133 | "last_modified": null, | 133 | "last_modified": null, | ||
| 134 | "metadata_modified": "2023-01-31T07:03:09.223673", | 134 | "metadata_modified": "2023-01-31T07:03:09.223673", | ||
| 135 | "mimetype": null, | 135 | "mimetype": null, | ||
| 136 | "mimetype_inner": null, | 136 | "mimetype_inner": null, | ||
| 137 | "name": "IPAR_oldcharges_heavyH.itp", | 137 | "name": "IPAR_oldcharges_heavyH.itp", | ||
| 138 | "owner_org": "mduq", | 138 | "owner_org": "mduq", | ||
| 139 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 139 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 140 | "position": 3, | 140 | "position": 3, | ||
| 141 | "resource_type": "forcefield-files", | 141 | "resource_type": "forcefield-files", | ||
| 142 | "run": 1, | 142 | "run": 1, | ||
| 143 | "size": 18247, | 143 | "size": 18247, | ||
| 144 | "state": "active", | 144 | "state": "active", | ||
| 145 | "url": | 145 | "url": | ||
| 146 | 40IcK_c7q0rAr-BZHyKU0zcwqYv4uUZKen3-rreiI/IPAR_oldcharges_heavyH.itp", | 146 | 40IcK_c7q0rAr-BZHyKU0zcwqYv4uUZKen3-rreiI/IPAR_oldcharges_heavyH.itp", | ||
| 147 | "url_type": null | 147 | "url_type": null | ||
| 148 | }, | 148 | }, | ||
| 149 | { | 149 | { | ||
| 150 | "cache_last_updated": null, | 150 | "cache_last_updated": null, | ||
| 151 | "cache_url": null, | 151 | "cache_url": null, | ||
| 152 | "created": "2023-01-31T07:03:09.269873", | 152 | "created": "2023-01-31T07:03:09.269873", | ||
| 153 | "description": null, | 153 | "description": null, | ||
| 154 | "format": "itp", | 154 | "format": "itp", | ||
| 155 | "hash": "", | 155 | "hash": "", | ||
| 156 | "id": "d9ed0f69-ae3d-4511-8d10-70553c033d2a", | 156 | "id": "d9ed0f69-ae3d-4511-8d10-70553c033d2a", | ||
| 157 | "last_modified": null, | 157 | "last_modified": null, | ||
| 158 | "metadata_modified": "2023-01-31T07:03:09.223787", | 158 | "metadata_modified": "2023-01-31T07:03:09.223787", | ||
| 159 | "mimetype": null, | 159 | "mimetype": null, | ||
| 160 | "mimetype_inner": null, | 160 | "mimetype_inner": null, | ||
| 161 | "name": "CBP_heavyH.itp", | 161 | "name": "CBP_heavyH.itp", | ||
| 162 | "owner_org": "mduq", | 162 | "owner_org": "mduq", | ||
| 163 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 163 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 164 | "position": 4, | 164 | "position": 4, | ||
| 165 | "resource_type": "forcefield-files", | 165 | "resource_type": "forcefield-files", | ||
| 166 | "run": 1, | 166 | "run": 1, | ||
| 167 | "size": 22450, | 167 | "size": 22450, | ||
| 168 | "state": "active", | 168 | "state": "active", | ||
| 169 | "url": | 169 | "url": | ||
| 170 | eld-files/yHg3hZ1a74O42UGwXKNxx_YVWAsKKEv8dNmEjDOjmyg/CBP_heavyH.itp", | 170 | eld-files/yHg3hZ1a74O42UGwXKNxx_YVWAsKKEv8dNmEjDOjmyg/CBP_heavyH.itp", | ||
| 171 | "url_type": null | 171 | "url_type": null | ||
| 172 | }, | 172 | }, | ||
| 173 | { | 173 | { | ||
| 174 | "cache_last_updated": null, | 174 | "cache_last_updated": null, | ||
| 175 | "cache_url": null, | 175 | "cache_url": null, | ||
| 176 | "created": "2023-01-31T07:03:09.269874", | 176 | "created": "2023-01-31T07:03:09.269874", | ||
| 177 | "description": null, | 177 | "description": null, | ||
| 178 | "format": "itp", | 178 | "format": "itp", | ||
| 179 | "hash": "", | 179 | "hash": "", | ||
| 180 | "id": "7501df77-617c-4f3c-bbeb-0a2c9dc11308", | 180 | "id": "7501df77-617c-4f3c-bbeb-0a2c9dc11308", | ||
| 181 | "last_modified": null, | 181 | "last_modified": null, | ||
| 182 | "metadata_modified": "2023-01-31T07:03:09.223898", | 182 | "metadata_modified": "2023-01-31T07:03:09.223898", | ||
| 183 | "mimetype": null, | 183 | "mimetype": null, | ||
| 184 | "mimetype_inner": null, | 184 | "mimetype_inner": null, | ||
| 185 | "name": "forcefield.itp", | 185 | "name": "forcefield.itp", | ||
| 186 | "owner_org": "mduq", | 186 | "owner_org": "mduq", | ||
| 187 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 187 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 188 | "position": 5, | 188 | "position": 5, | ||
| 189 | "resource_type": "forcefield-files", | 189 | "resource_type": "forcefield-files", | ||
| 190 | "run": 1, | 190 | "run": 1, | ||
| 191 | "size": 176, | 191 | "size": 176, | ||
| 192 | "state": "active", | 192 | "state": "active", | ||
| 193 | "url": | 193 | "url": | ||
| 194 | eld-files/vA2D2yxF9JKRl9XKH67ltSOKVmLNk3-bg-GtXlhdjLc/forcefield.itp", | 194 | eld-files/vA2D2yxF9JKRl9XKH67ltSOKVmLNk3-bg-GtXlhdjLc/forcefield.itp", | ||
| 195 | "url_type": null | 195 | "url_type": null | ||
| 196 | }, | 196 | }, | ||
| 197 | { | 197 | { | ||
| 198 | "cache_last_updated": null, | 198 | "cache_last_updated": null, | ||
| 199 | "cache_url": null, | 199 | "cache_url": null, | ||
| 200 | "created": "2023-01-31T07:03:09.269876", | 200 | "created": "2023-01-31T07:03:09.269876", | ||
| 201 | "description": null, | 201 | "description": null, | ||
| 202 | "format": "itp", | 202 | "format": "itp", | ||
| 203 | "hash": "", | 203 | "hash": "", | ||
| 204 | "id": "421b27db-77a9-499c-a5ce-41c40c3998d2", | 204 | "id": "421b27db-77a9-499c-a5ce-41c40c3998d2", | ||
| 205 | "last_modified": null, | 205 | "last_modified": null, | ||
| 206 | "metadata_modified": "2023-01-31T07:03:09.224008", | 206 | "metadata_modified": "2023-01-31T07:03:09.224008", | ||
| 207 | "mimetype": null, | 207 | "mimetype": null, | ||
| 208 | "mimetype_inner": null, | 208 | "mimetype_inner": null, | ||
| 209 | "name": "IPAS_oldcharges_heavyH.itp", | 209 | "name": "IPAS_oldcharges_heavyH.itp", | ||
| 210 | "owner_org": "mduq", | 210 | "owner_org": "mduq", | ||
| 211 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 211 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 212 | "position": 6, | 212 | "position": 6, | ||
| 213 | "resource_type": "forcefield-files", | 213 | "resource_type": "forcefield-files", | ||
| 214 | "run": 1, | 214 | "run": 1, | ||
| 215 | "size": 18247, | 215 | "size": 18247, | ||
| 216 | "state": "active", | 216 | "state": "active", | ||
| 217 | "url": | 217 | "url": | ||
| 218 | cgwpMLE0oXu0tECyCE9eqMQSYpO5LRSajEnxMyVG0/IPAS_oldcharges_heavyH.itp", | 218 | cgwpMLE0oXu0tECyCE9eqMQSYpO5LRSajEnxMyVG0/IPAS_oldcharges_heavyH.itp", | ||
| 219 | "url_type": null | 219 | "url_type": null | ||
| 220 | }, | 220 | }, | ||
| 221 | { | 221 | { | ||
| 222 | "cache_last_updated": null, | 222 | "cache_last_updated": null, | ||
| 223 | "cache_url": null, | 223 | "cache_url": null, | ||
| 224 | "created": "2023-01-31T07:03:09.269877", | 224 | "created": "2023-01-31T07:03:09.269877", | ||
| 225 | "description": null, | 225 | "description": null, | ||
| 226 | "format": "itp", | 226 | "format": "itp", | ||
| 227 | "hash": "", | 227 | "hash": "", | ||
| 228 | "id": "03dc2564-c090-4435-b958-6b8ac4e7ea39", | 228 | "id": "03dc2564-c090-4435-b958-6b8ac4e7ea39", | ||
| 229 | "last_modified": null, | 229 | "last_modified": null, | ||
| 230 | "metadata_modified": "2023-01-31T07:03:09.224117", | 230 | "metadata_modified": "2023-01-31T07:03:09.224117", | ||
| 231 | "mimetype": null, | 231 | "mimetype": null, | ||
| 232 | "mimetype_inner": null, | 232 | "mimetype_inner": null, | ||
| 233 | "name": "GRM4x_restr_massive.itp", | 233 | "name": "GRM4x_restr_massive.itp", | ||
| 234 | "owner_org": "mduq", | 234 | "owner_org": "mduq", | ||
| 235 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 235 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 236 | "position": 7, | 236 | "position": 7, | ||
| 237 | "resource_type": "forcefield-files", | 237 | "resource_type": "forcefield-files", | ||
| 238 | "run": 1, | 238 | "run": 1, | ||
| 239 | "size": 2145889, | 239 | "size": 2145889, | ||
| 240 | "state": "active", | 240 | "state": "active", | ||
| 241 | "url": | 241 | "url": | ||
| 242 | /koSr1Q0HkC7WzdvhsjY0xuYpszJPB8lk_dAvT1exmrU/GRM4x_restr_massive.itp", | 242 | /koSr1Q0HkC7WzdvhsjY0xuYpszJPB8lk_dAvT1exmrU/GRM4x_restr_massive.itp", | ||
| 243 | "url_type": null | 243 | "url_type": null | ||
| 244 | }, | 244 | }, | ||
| 245 | { | 245 | { | ||
| 246 | "cache_last_updated": null, | 246 | "cache_last_updated": null, | ||
| 247 | "cache_url": null, | 247 | "cache_url": null, | ||
| 248 | "created": "2023-01-31T07:03:09.269878", | 248 | "created": "2023-01-31T07:03:09.269878", | ||
| 249 | "description": null, | 249 | "description": null, | ||
| 250 | "format": "itp", | 250 | "format": "itp", | ||
| 251 | "hash": "", | 251 | "hash": "", | ||
| 252 | "id": "992dea6e-64b6-4826-b272-27ec509caaae", | 252 | "id": "992dea6e-64b6-4826-b272-27ec509caaae", | ||
| 253 | "last_modified": null, | 253 | "last_modified": null, | ||
| 254 | "metadata_modified": "2023-01-31T07:03:09.224226", | 254 | "metadata_modified": "2023-01-31T07:03:09.224226", | ||
| 255 | "mimetype": null, | 255 | "mimetype": null, | ||
| 256 | "mimetype_inner": null, | 256 | "mimetype_inner": null, | ||
| 257 | "name": "rigid_chcl3.itp", | 257 | "name": "rigid_chcl3.itp", | ||
| 258 | "owner_org": "mduq", | 258 | "owner_org": "mduq", | ||
| 259 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 259 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 260 | "position": 8, | 260 | "position": 8, | ||
| 261 | "resource_type": "forcefield-files", | 261 | "resource_type": "forcefield-files", | ||
| 262 | "run": 1, | 262 | "run": 1, | ||
| 263 | "size": 5309, | 263 | "size": 5309, | ||
| 264 | "state": "active", | 264 | "state": "active", | ||
| 265 | "url": | 265 | "url": | ||
| 266 | ld-files/n9KV8JWxtI9NFjIuFBG_mi8m0V2Ih9b_vpFfF_yRLPA/rigid_chcl3.itp", | 266 | ld-files/n9KV8JWxtI9NFjIuFBG_mi8m0V2Ih9b_vpFfF_yRLPA/rigid_chcl3.itp", | ||
| 267 | "url_type": null | 267 | "url_type": null | ||
| 268 | }, | 268 | }, | ||
| 269 | { | 269 | { | ||
| 270 | "cache_last_updated": null, | 270 | "cache_last_updated": null, | ||
| 271 | "cache_url": null, | 271 | "cache_url": null, | ||
| 272 | "created": "2023-01-31T07:03:09.269879", | 272 | "created": "2023-01-31T07:03:09.269879", | ||
| 273 | "description": null, | 273 | "description": null, | ||
| 274 | "format": "gro", | 274 | "format": "gro", | ||
| 275 | "hash": "", | 275 | "hash": "", | ||
| 276 | "id": "69577300-f8a8-4fe4-8806-6a41d50f4eab", | 276 | "id": "69577300-f8a8-4fe4-8806-6a41d50f4eab", | ||
| 277 | "last_modified": null, | 277 | "last_modified": null, | ||
| 278 | "metadata_modified": "2023-01-31T07:03:09.224335", | 278 | "metadata_modified": "2023-01-31T07:03:09.224335", | ||
| 279 | "mimetype": null, | 279 | "mimetype": null, | ||
| 280 | "mimetype_inner": null, | 280 | "mimetype_inner": null, | ||
| 281 | "name": | 281 | "name": | ||
| 282 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00001.gro", | 282 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00001.gro", | ||
| 283 | "owner_org": "mduq", | 283 | "owner_org": "mduq", | ||
| 284 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 284 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 285 | "position": 9, | 285 | "position": 9, | ||
| 286 | "resource_type": "input-coordinates", | 286 | "resource_type": "input-coordinates", | ||
| 287 | "run": 1, | 287 | "run": 1, | ||
| 288 | "size": 125001289, | 288 | "size": 125001289, | ||
| 289 | "state": "active", | 289 | "state": "active", | ||
| 290 | "url": | 290 | "url": | ||
| 291 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00001.gro", | 291 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00001.gro", | ||
| 292 | "url_type": null | 292 | "url_type": null | ||
| 293 | }, | 293 | }, | ||
| 294 | { | 294 | { | ||
| 295 | "cache_last_updated": null, | 295 | "cache_last_updated": null, | ||
| 296 | "cache_url": null, | 296 | "cache_url": null, | ||
| 297 | "created": "2023-01-31T07:03:09.269881", | 297 | "created": "2023-01-31T07:03:09.269881", | ||
| 298 | "description": null, | 298 | "description": null, | ||
| 299 | "format": "log", | 299 | "format": "log", | ||
| 300 | "hash": "", | 300 | "hash": "", | ||
| 301 | "id": "49c18224-b174-48db-873f-80948b7457db", | 301 | "id": "49c18224-b174-48db-873f-80948b7457db", | ||
| 302 | "last_modified": null, | 302 | "last_modified": null, | ||
| 303 | "metadata_modified": "2023-01-31T07:03:09.224444", | 303 | "metadata_modified": "2023-01-31T07:03:09.224444", | ||
| 304 | "mimetype": null, | 304 | "mimetype": null, | ||
| 305 | "mimetype_inner": null, | 305 | "mimetype_inner": null, | ||
| 306 | "name": | 306 | "name": | ||
| 307 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00001.log", | 307 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00001.log", | ||
| 308 | "owner_org": "mduq", | 308 | "owner_org": "mduq", | ||
| 309 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 309 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 310 | "position": 10, | 310 | "position": 10, | ||
| 311 | "resource_type": "log", | 311 | "resource_type": "log", | ||
| 312 | "run": 1, | 312 | "run": 1, | ||
| 313 | "size": 32709, | 313 | "size": 32709, | ||
| 314 | "state": "active", | 314 | "state": "active", | ||
| 315 | "url": | 315 | "url": | ||
| 316 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00001.log", | 316 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00001.log", | ||
| 317 | "url_type": null | 317 | "url_type": null | ||
| 318 | }, | 318 | }, | ||
| 319 | { | 319 | { | ||
| 320 | "cache_last_updated": null, | 320 | "cache_last_updated": null, | ||
| 321 | "cache_url": null, | 321 | "cache_url": null, | ||
| 322 | "created": "2023-01-31T07:03:09.269882", | 322 | "created": "2023-01-31T07:03:09.269882", | ||
| 323 | "description": null, | 323 | "description": null, | ||
| 324 | "format": "edr", | 324 | "format": "edr", | ||
| 325 | "hash": "", | 325 | "hash": "", | ||
| 326 | "id": "b9bb69d5-c507-47f0-9aa2-da63cb7aba38", | 326 | "id": "b9bb69d5-c507-47f0-9aa2-da63cb7aba38", | ||
| 327 | "last_modified": null, | 327 | "last_modified": null, | ||
| 328 | "metadata_modified": "2023-01-31T07:03:09.224551", | 328 | "metadata_modified": "2023-01-31T07:03:09.224551", | ||
| 329 | "mimetype": null, | 329 | "mimetype": null, | ||
| 330 | "mimetype_inner": null, | 330 | "mimetype_inner": null, | ||
| 331 | "name": | 331 | "name": | ||
| 332 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00001.edr", | 332 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00001.edr", | ||
| 333 | "owner_org": "mduq", | 333 | "owner_org": "mduq", | ||
| 334 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 334 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 335 | "position": 11, | 335 | "position": 11, | ||
| 336 | "resource_type": "energy", | 336 | "resource_type": "energy", | ||
| 337 | "run": 1, | 337 | "run": 1, | ||
| 338 | "size": 7280, | 338 | "size": 7280, | ||
| 339 | "state": "active", | 339 | "state": "active", | ||
| 340 | "url": | 340 | "url": | ||
| 341 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00001.edr", | 341 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00001.edr", | ||
| 342 | "url_type": null | 342 | "url_type": null | ||
| 343 | }, | 343 | }, | ||
| 344 | { | 344 | { | ||
| 345 | "cache_last_updated": null, | 345 | "cache_last_updated": null, | ||
| 346 | "cache_url": null, | 346 | "cache_url": null, | ||
| 347 | "created": "2023-01-31T07:03:09.269884", | 347 | "created": "2023-01-31T07:03:09.269884", | ||
| 348 | "description": null, | 348 | "description": null, | ||
| 349 | "format": "top", | 349 | "format": "top", | ||
| 350 | "hash": "", | 350 | "hash": "", | ||
| 351 | "id": "b2749d1b-32f5-4c1d-b25b-5b2aa2d4b26b", | 351 | "id": "b2749d1b-32f5-4c1d-b25b-5b2aa2d4b26b", | ||
| 352 | "last_modified": null, | 352 | "last_modified": null, | ||
| 353 | "metadata_modified": "2023-01-31T07:03:09.224769", | 353 | "metadata_modified": "2023-01-31T07:03:09.224769", | ||
| 354 | "mimetype": null, | 354 | "mimetype": null, | ||
| 355 | "mimetype_inner": null, | 355 | "mimetype_inner": null, | ||
| 356 | "name": | 356 | "name": | ||
| 357 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00001.top", | 357 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00001.top", | ||
| 358 | "owner_org": "mduq", | 358 | "owner_org": "mduq", | ||
| 359 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 359 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 360 | "position": 12, | 360 | "position": 12, | ||
| 361 | "resource_type": "topology", | 361 | "resource_type": "topology", | ||
| 362 | "run": 1, | 362 | "run": 1, | ||
| 363 | "size": 3438, | 363 | "size": 3438, | ||
| 364 | "state": "active", | 364 | "state": "active", | ||
| 365 | "url": | 365 | "url": | ||
| 366 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00001.top", | 366 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00001.top", | ||
| 367 | "url_type": null | 367 | "url_type": null | ||
| 368 | }, | 368 | }, | ||
| 369 | { | 369 | { | ||
| 370 | "cache_last_updated": null, | 370 | "cache_last_updated": null, | ||
| 371 | "cache_url": null, | 371 | "cache_url": null, | ||
| 372 | "created": "2023-01-31T07:03:09.269886", | 372 | "created": "2023-01-31T07:03:09.269886", | ||
| 373 | "description": null, | 373 | "description": null, | ||
| 374 | "format": "gro", | 374 | "format": "gro", | ||
| 375 | "hash": "", | 375 | "hash": "", | ||
| 376 | "id": "c4b9c18e-1be2-4245-bcef-2f1cb425767b", | 376 | "id": "c4b9c18e-1be2-4245-bcef-2f1cb425767b", | ||
| 377 | "last_modified": null, | 377 | "last_modified": null, | ||
| 378 | "metadata_modified": "2023-01-31T07:03:09.224877", | 378 | "metadata_modified": "2023-01-31T07:03:09.224877", | ||
| 379 | "mimetype": null, | 379 | "mimetype": null, | ||
| 380 | "mimetype_inner": null, | 380 | "mimetype_inner": null, | ||
| 381 | "name": | 381 | "name": | ||
| 382 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00001.gro", | 382 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00001.gro", | ||
| 383 | "owner_org": "mduq", | 383 | "owner_org": "mduq", | ||
| 384 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 384 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 385 | "position": 13, | 385 | "position": 13, | ||
| 386 | "resource_type": "final-coordinates", | 386 | "resource_type": "final-coordinates", | ||
| 387 | "run": 1, | 387 | "run": 1, | ||
| 388 | "size": 125001274, | 388 | "size": 125001274, | ||
| 389 | "state": "active", | 389 | "state": "active", | ||
| 390 | "url": | 390 | "url": | ||
| 391 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00001.gro", | 391 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00001.gro", | ||
| 392 | "url_type": null | 392 | "url_type": null | ||
| 393 | }, | 393 | }, | ||
| 394 | { | 394 | { | ||
| 395 | "cache_last_updated": null, | 395 | "cache_last_updated": null, | ||
| 396 | "cache_url": null, | 396 | "cache_url": null, | ||
| 397 | "created": "2023-01-31T07:03:09.269887", | 397 | "created": "2023-01-31T07:03:09.269887", | ||
| 398 | "description": null, | 398 | "description": null, | ||
| 399 | "format": "gro", | 399 | "format": "gro", | ||
| 400 | "hash": "", | 400 | "hash": "", | ||
| 401 | "id": "d49a3381-7d4f-451a-92b6-d41862248f2d", | 401 | "id": "d49a3381-7d4f-451a-92b6-d41862248f2d", | ||
| 402 | "last_modified": null, | 402 | "last_modified": null, | ||
| 403 | "metadata_modified": "2023-01-31T07:03:09.224985", | 403 | "metadata_modified": "2023-01-31T07:03:09.224985", | ||
| 404 | "mimetype": null, | 404 | "mimetype": null, | ||
| 405 | "mimetype_inner": null, | 405 | "mimetype_inner": null, | ||
| 406 | "name": | 406 | "name": | ||
| 407 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00001.gro", | 407 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00001.gro", | ||
| 408 | "owner_org": "mduq", | 408 | "owner_org": "mduq", | ||
| 409 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 409 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 410 | "position": 14, | 410 | "position": 14, | ||
| 411 | "resource_type": "restraints", | 411 | "resource_type": "restraints", | ||
| 412 | "run": 1, | 412 | "run": 1, | ||
| 413 | "size": 125001289, | 413 | "size": 125001289, | ||
| 414 | "state": "active", | 414 | "state": "active", | ||
| 415 | "url": | 415 | "url": | ||
| 416 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00001.gro", | 416 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00001.gro", | ||
| 417 | "url_type": null | 417 | "url_type": null | ||
| 418 | }, | 418 | }, | ||
| 419 | { | 419 | { | ||
| 420 | "cache_last_updated": null, | 420 | "cache_last_updated": null, | ||
| 421 | "cache_url": null, | 421 | "cache_url": null, | ||
| 422 | "created": "2023-01-31T07:03:09.269888", | 422 | "created": "2023-01-31T07:03:09.269888", | ||
| 423 | "description": null, | 423 | "description": null, | ||
| 424 | "format": "mdp", | 424 | "format": "mdp", | ||
| 425 | "hash": "", | 425 | "hash": "", | ||
| 426 | "id": "cb3f224f-05b7-4e54-8af5-69903df50c94", | 426 | "id": "cb3f224f-05b7-4e54-8af5-69903df50c94", | ||
| 427 | "last_modified": null, | 427 | "last_modified": null, | ||
| 428 | "metadata_modified": "2023-01-31T07:03:09.225093", | 428 | "metadata_modified": "2023-01-31T07:03:09.225093", | ||
| 429 | "mimetype": null, | 429 | "mimetype": null, | ||
| 430 | "mimetype_inner": null, | 430 | "mimetype_inner": null, | ||
| 431 | "name": | 431 | "name": | ||
| 432 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00002.mdp", | 432 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00002.mdp", | ||
| 433 | "owner_org": "mduq", | 433 | "owner_org": "mduq", | ||
| 434 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 434 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 435 | "position": 15, | 435 | "position": 15, | ||
| 436 | "resource_type": "control", | 436 | "resource_type": "control", | ||
| 437 | "run": 2, | 437 | "run": 2, | ||
| 438 | "size": 1728, | 438 | "size": 1728, | ||
| 439 | "state": "active", | 439 | "state": "active", | ||
| 440 | "url": | 440 | "url": | ||
| 441 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00002.mdp", | 441 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00002.mdp", | ||
| 442 | "url_type": null | 442 | "url_type": null | ||
| 443 | }, | 443 | }, | ||
| 444 | { | 444 | { | ||
| 445 | "cache_last_updated": null, | 445 | "cache_last_updated": null, | ||
| 446 | "cache_url": null, | 446 | "cache_url": null, | ||
| 447 | "created": "2023-01-31T07:03:09.269893", | 447 | "created": "2023-01-31T07:03:09.269893", | ||
| 448 | "description": null, | 448 | "description": null, | ||
| 449 | "format": "tpr", | 449 | "format": "tpr", | ||
| 450 | "hash": "", | 450 | "hash": "", | ||
| 451 | "id": "7941199f-8ae7-49ce-a617-48c16aab0c3a", | 451 | "id": "7941199f-8ae7-49ce-a617-48c16aab0c3a", | ||
| 452 | "last_modified": null, | 452 | "last_modified": null, | ||
| 453 | "metadata_modified": "2023-02-02T05:01:10.050801", | 453 | "metadata_modified": "2023-02-02T05:01:10.050801", | ||
| 454 | "mimetype": null, | 454 | "mimetype": null, | ||
| 455 | "mimetype_inner": null, | 455 | "mimetype_inner": null, | ||
| 456 | "name": | 456 | "name": | ||
| 457 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00002.tpr", | 457 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00002.tpr", | ||
| 458 | "owner_org": "mduq", | 458 | "owner_org": "mduq", | ||
| 459 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 459 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 460 | "position": 16, | 460 | "position": 16, | ||
| 461 | "resource_type": "forcefield-files", | 461 | "resource_type": "forcefield-files", | ||
| 462 | "run": 2, | 462 | "run": 2, | ||
| 463 | "size": 54412496, | 463 | "size": 54412496, | ||
| 464 | "state": "active", | 464 | "state": "active", | ||
| 465 | "url": | 465 | "url": | ||
| 466 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00002.tpr", | 466 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00002.tpr", | ||
| 467 | "url_type": null | 467 | "url_type": null | ||
| 468 | }, | 468 | }, | ||
| 469 | { | 469 | { | ||
| 470 | "cache_last_updated": null, | 470 | "cache_last_updated": null, | ||
| 471 | "cache_url": null, | 471 | "cache_url": null, | ||
| 472 | "created": "2023-01-31T07:03:09.269890", | 472 | "created": "2023-01-31T07:03:09.269890", | ||
| 473 | "description": null, | 473 | "description": null, | ||
| 474 | "format": "gro", | 474 | "format": "gro", | ||
| 475 | "hash": "", | 475 | "hash": "", | ||
| 476 | "id": "016882de-b848-44f4-ba06-5c4eb9ed38be", | 476 | "id": "016882de-b848-44f4-ba06-5c4eb9ed38be", | ||
| 477 | "last_modified": null, | 477 | "last_modified": null, | ||
| 478 | "metadata_modified": "2023-01-31T07:03:09.225201", | 478 | "metadata_modified": "2023-01-31T07:03:09.225201", | ||
| 479 | "mimetype": null, | 479 | "mimetype": null, | ||
| 480 | "mimetype_inner": null, | 480 | "mimetype_inner": null, | ||
| 481 | "name": | 481 | "name": | ||
| 482 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00002.gro", | 482 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00002.gro", | ||
| 483 | "owner_org": "mduq", | 483 | "owner_org": "mduq", | ||
| 484 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 484 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 485 | "position": 17, | 485 | "position": 17, | ||
| 486 | "resource_type": "input-coordinates", | 486 | "resource_type": "input-coordinates", | ||
| 487 | "run": 2, | 487 | "run": 2, | ||
| 488 | "size": 68494431, | 488 | "size": 68494431, | ||
| 489 | "state": "active", | 489 | "state": "active", | ||
| 490 | "url": | 490 | "url": | ||
| 491 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00002.gro", | 491 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00002.gro", | ||
| 492 | "url_type": null | 492 | "url_type": null | ||
| 493 | }, | 493 | }, | ||
| 494 | { | 494 | { | ||
| 495 | "cache_last_updated": null, | 495 | "cache_last_updated": null, | ||
| 496 | "cache_url": null, | 496 | "cache_url": null, | ||
| 497 | "created": "2023-01-31T07:03:09.269891", | 497 | "created": "2023-01-31T07:03:09.269891", | ||
| 498 | "description": null, | 498 | "description": null, | ||
| 499 | "format": "log", | 499 | "format": "log", | ||
| 500 | "hash": "", | 500 | "hash": "", | ||
| 501 | "id": "a41bb7b0-6ff8-4889-a807-2f6805c87741", | 501 | "id": "a41bb7b0-6ff8-4889-a807-2f6805c87741", | ||
| 502 | "last_modified": null, | 502 | "last_modified": null, | ||
| 503 | "metadata_modified": "2023-01-31T07:03:09.225322", | 503 | "metadata_modified": "2023-01-31T07:03:09.225322", | ||
| 504 | "mimetype": null, | 504 | "mimetype": null, | ||
| 505 | "mimetype_inner": null, | 505 | "mimetype_inner": null, | ||
| 506 | "name": | 506 | "name": | ||
| 507 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00002.log", | 507 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00002.log", | ||
| 508 | "owner_org": "mduq", | 508 | "owner_org": "mduq", | ||
| 509 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 509 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 510 | "position": 18, | 510 | "position": 18, | ||
| 511 | "resource_type": "log", | 511 | "resource_type": "log", | ||
| 512 | "run": 2, | 512 | "run": 2, | ||
| 513 | "size": 41503, | 513 | "size": 41503, | ||
| 514 | "state": "active", | 514 | "state": "active", | ||
| 515 | "url": | 515 | "url": | ||
| 516 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00002.log", | 516 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00002.log", | ||
| 517 | "url_type": null | 517 | "url_type": null | ||
| 518 | }, | 518 | }, | ||
| 519 | { | 519 | { | ||
| 520 | "cache_last_updated": null, | 520 | "cache_last_updated": null, | ||
| 521 | "cache_url": null, | 521 | "cache_url": null, | ||
| 522 | "created": "2023-01-31T07:03:09.269892", | 522 | "created": "2023-01-31T07:03:09.269892", | ||
| 523 | "description": null, | 523 | "description": null, | ||
| 524 | "format": "edr", | 524 | "format": "edr", | ||
| 525 | "hash": "", | 525 | "hash": "", | ||
| 526 | "id": "de82aeac-71d9-4951-9b10-00c33b227431", | 526 | "id": "de82aeac-71d9-4951-9b10-00c33b227431", | ||
| 527 | "last_modified": null, | 527 | "last_modified": null, | ||
| 528 | "metadata_modified": "2023-01-31T07:03:09.225430", | 528 | "metadata_modified": "2023-01-31T07:03:09.225430", | ||
| 529 | "mimetype": null, | 529 | "mimetype": null, | ||
| 530 | "mimetype_inner": null, | 530 | "mimetype_inner": null, | ||
| 531 | "name": | 531 | "name": | ||
| 532 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00002.edr", | 532 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00002.edr", | ||
| 533 | "owner_org": "mduq", | 533 | "owner_org": "mduq", | ||
| 534 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 534 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 535 | "position": 19, | 535 | "position": 19, | ||
| 536 | "resource_type": "energy", | 536 | "resource_type": "energy", | ||
| 537 | "run": 2, | 537 | "run": 2, | ||
| 538 | "size": 621280, | 538 | "size": 621280, | ||
| 539 | "state": "active", | 539 | "state": "active", | ||
| 540 | "url": | 540 | "url": | ||
| 541 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00002.edr", | 541 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00002.edr", | ||
| 542 | "url_type": null | 542 | "url_type": null | ||
| 543 | }, | 543 | }, | ||
| 544 | { | 544 | { | ||
| 545 | "cache_last_updated": null, | 545 | "cache_last_updated": null, | ||
| 546 | "cache_url": null, | 546 | "cache_url": null, | ||
| 547 | "created": "2023-01-31T07:03:09.269895", | 547 | "created": "2023-01-31T07:03:09.269895", | ||
| 548 | "description": null, | 548 | "description": null, | ||
| 549 | "format": "top", | 549 | "format": "top", | ||
| 550 | "hash": "", | 550 | "hash": "", | ||
| 551 | "id": "7d06412f-d858-4b87-84f0-2324482c7a5d", | 551 | "id": "7d06412f-d858-4b87-84f0-2324482c7a5d", | ||
| 552 | "last_modified": null, | 552 | "last_modified": null, | ||
| 553 | "metadata_modified": "2023-01-31T07:03:09.225643", | 553 | "metadata_modified": "2023-01-31T07:03:09.225643", | ||
| 554 | "mimetype": null, | 554 | "mimetype": null, | ||
| 555 | "mimetype_inner": null, | 555 | "mimetype_inner": null, | ||
| 556 | "name": | 556 | "name": | ||
| 557 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00002.top", | 557 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00002.top", | ||
| 558 | "owner_org": "mduq", | 558 | "owner_org": "mduq", | ||
| 559 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 559 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 560 | "position": 20, | 560 | "position": 20, | ||
| 561 | "resource_type": "topology", | 561 | "resource_type": "topology", | ||
| 562 | "run": 2, | 562 | "run": 2, | ||
| 563 | "size": 3417, | 563 | "size": 3417, | ||
| 564 | "state": "active", | 564 | "state": "active", | ||
| 565 | "url": | 565 | "url": | ||
| 566 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00002.top", | 566 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00002.top", | ||
| 567 | "url_type": null | 567 | "url_type": null | ||
| 568 | }, | 568 | }, | ||
| 569 | { | 569 | { | ||
| 570 | "cache_last_updated": null, | 570 | "cache_last_updated": null, | ||
| 571 | "cache_url": null, | 571 | "cache_url": null, | ||
| 572 | "created": "2023-01-31T07:03:09.269896", | 572 | "created": "2023-01-31T07:03:09.269896", | ||
| 573 | "description": null, | 573 | "description": null, | ||
| 574 | "format": "gro", | 574 | "format": "gro", | ||
| 575 | "hash": "", | 575 | "hash": "", | ||
| 576 | "id": "fa7b9e4e-150d-48f7-9da2-9381e4e6f265", | 576 | "id": "fa7b9e4e-150d-48f7-9da2-9381e4e6f265", | ||
| 577 | "last_modified": null, | 577 | "last_modified": null, | ||
| 578 | "metadata_modified": "2023-01-31T07:03:09.225750", | 578 | "metadata_modified": "2023-01-31T07:03:09.225750", | ||
| 579 | "mimetype": null, | 579 | "mimetype": null, | ||
| 580 | "mimetype_inner": null, | 580 | "mimetype_inner": null, | ||
| 581 | "name": | 581 | "name": | ||
| 582 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00002.gro", | 582 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00002.gro", | ||
| 583 | "owner_org": "mduq", | 583 | "owner_org": "mduq", | ||
| 584 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 584 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 585 | "position": 21, | 585 | "position": 21, | ||
| 586 | "resource_type": "final-coordinates", | 586 | "resource_type": "final-coordinates", | ||
| 587 | "run": 2, | 587 | "run": 2, | ||
| 588 | "size": 68494432, | 588 | "size": 68494432, | ||
| 589 | "state": "active", | 589 | "state": "active", | ||
| 590 | "url": | 590 | "url": | ||
| 591 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00002.gro", | 591 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00002.gro", | ||
| 592 | "url_type": null | 592 | "url_type": null | ||
| 593 | }, | 593 | }, | ||
| 594 | { | 594 | { | ||
| 595 | "cache_last_updated": null, | 595 | "cache_last_updated": null, | ||
| 596 | "cache_url": null, | 596 | "cache_url": null, | ||
| 597 | "created": "2023-01-31T07:03:09.269897", | 597 | "created": "2023-01-31T07:03:09.269897", | ||
| 598 | "description": null, | 598 | "description": null, | ||
| 599 | "format": "gro", | 599 | "format": "gro", | ||
| 600 | "hash": "", | 600 | "hash": "", | ||
| 601 | "id": "b8e54e13-3086-47f7-a02d-6a7aa85173e2", | 601 | "id": "b8e54e13-3086-47f7-a02d-6a7aa85173e2", | ||
| 602 | "last_modified": null, | 602 | "last_modified": null, | ||
| 603 | "metadata_modified": "2023-01-31T07:03:09.225857", | 603 | "metadata_modified": "2023-01-31T07:03:09.225857", | ||
| 604 | "mimetype": null, | 604 | "mimetype": null, | ||
| 605 | "mimetype_inner": null, | 605 | "mimetype_inner": null, | ||
| 606 | "name": | 606 | "name": | ||
| 607 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00002.gro", | 607 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00002.gro", | ||
| 608 | "owner_org": "mduq", | 608 | "owner_org": "mduq", | ||
| 609 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 609 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 610 | "position": 22, | 610 | "position": 22, | ||
| 611 | "resource_type": "restraints", | 611 | "resource_type": "restraints", | ||
| 612 | "run": 2, | 612 | "run": 2, | ||
| 613 | "size": 68494430, | 613 | "size": 68494430, | ||
| 614 | "state": "active", | 614 | "state": "active", | ||
| 615 | "url": | 615 | "url": | ||
| 616 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00002.gro", | 616 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00002.gro", | ||
| 617 | "url_type": null | 617 | "url_type": null | ||
| 618 | }, | 618 | }, | ||
| 619 | { | 619 | { | ||
| 620 | "cache_last_updated": null, | 620 | "cache_last_updated": null, | ||
| 621 | "cache_url": null, | 621 | "cache_url": null, | ||
| 622 | "created": "2023-01-31T07:03:09.269899", | 622 | "created": "2023-01-31T07:03:09.269899", | ||
| 623 | "description": null, | 623 | "description": null, | ||
| 624 | "format": "mdp", | 624 | "format": "mdp", | ||
| 625 | "hash": "", | 625 | "hash": "", | ||
| 626 | "id": "dd6fc0a5-39f5-4132-a075-15fbddd713b3", | 626 | "id": "dd6fc0a5-39f5-4132-a075-15fbddd713b3", | ||
| 627 | "last_modified": null, | 627 | "last_modified": null, | ||
| 628 | "metadata_modified": "2023-01-31T07:03:09.225964", | 628 | "metadata_modified": "2023-01-31T07:03:09.225964", | ||
| 629 | "mimetype": null, | 629 | "mimetype": null, | ||
| 630 | "mimetype_inner": null, | 630 | "mimetype_inner": null, | ||
| 631 | "name": | 631 | "name": | ||
| 632 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00003.mdp", | 632 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00003.mdp", | ||
| 633 | "owner_org": "mduq", | 633 | "owner_org": "mduq", | ||
| 634 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 634 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 635 | "position": 23, | 635 | "position": 23, | ||
| 636 | "resource_type": "control", | 636 | "resource_type": "control", | ||
| 637 | "run": 3, | 637 | "run": 3, | ||
| 638 | "size": 1727, | 638 | "size": 1727, | ||
| 639 | "state": "active", | 639 | "state": "active", | ||
| 640 | "url": | 640 | "url": | ||
| 641 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00003.mdp", | 641 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00003.mdp", | ||
| 642 | "url_type": null | 642 | "url_type": null | ||
| 643 | }, | 643 | }, | ||
| 644 | { | 644 | { | ||
| 645 | "cache_last_updated": null, | 645 | "cache_last_updated": null, | ||
| 646 | "cache_url": null, | 646 | "cache_url": null, | ||
| 647 | "created": "2023-01-31T07:03:09.269904", | 647 | "created": "2023-01-31T07:03:09.269904", | ||
| 648 | "description": null, | 648 | "description": null, | ||
| 649 | "format": "tpr", | 649 | "format": "tpr", | ||
| 650 | "hash": "", | 650 | "hash": "", | ||
| 651 | "id": "91f117fb-b6b9-4cbd-a1b6-100fa4c70647", | 651 | "id": "91f117fb-b6b9-4cbd-a1b6-100fa4c70647", | ||
| 652 | "last_modified": null, | 652 | "last_modified": null, | ||
| 653 | "metadata_modified": "2023-02-02T05:01:10.051394", | 653 | "metadata_modified": "2023-02-02T05:01:10.051394", | ||
| 654 | "mimetype": null, | 654 | "mimetype": null, | ||
| 655 | "mimetype_inner": null, | 655 | "mimetype_inner": null, | ||
| 656 | "name": | 656 | "name": | ||
| 657 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00003.tpr", | 657 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00003.tpr", | ||
| 658 | "owner_org": "mduq", | 658 | "owner_org": "mduq", | ||
| 659 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 659 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 660 | "position": 24, | 660 | "position": 24, | ||
| 661 | "resource_type": "forcefield-files", | 661 | "resource_type": "forcefield-files", | ||
| 662 | "run": 3, | 662 | "run": 3, | ||
| 663 | "size": 39865376, | 663 | "size": 39865376, | ||
| 664 | "state": "active", | 664 | "state": "active", | ||
| 665 | "url": | 665 | "url": | ||
| 666 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00003.tpr", | 666 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00003.tpr", | ||
| 667 | "url_type": null | 667 | "url_type": null | ||
| 668 | }, | 668 | }, | ||
| 669 | { | 669 | { | ||
| 670 | "cache_last_updated": null, | 670 | "cache_last_updated": null, | ||
| 671 | "cache_url": null, | 671 | "cache_url": null, | ||
| 672 | "created": "2023-01-31T07:03:09.269900", | 672 | "created": "2023-01-31T07:03:09.269900", | ||
| 673 | "description": null, | 673 | "description": null, | ||
| 674 | "format": "gro", | 674 | "format": "gro", | ||
| 675 | "hash": "", | 675 | "hash": "", | ||
| 676 | "id": "1a8087e5-b08b-45ad-a203-1ca18c8c60b2", | 676 | "id": "1a8087e5-b08b-45ad-a203-1ca18c8c60b2", | ||
| 677 | "last_modified": null, | 677 | "last_modified": null, | ||
| 678 | "metadata_modified": "2023-01-31T07:03:09.226070", | 678 | "metadata_modified": "2023-01-31T07:03:09.226070", | ||
| 679 | "mimetype": null, | 679 | "mimetype": null, | ||
| 680 | "mimetype_inner": null, | 680 | "mimetype_inner": null, | ||
| 681 | "name": | 681 | "name": | ||
| 682 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00003.gro", | 682 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00003.gro", | ||
| 683 | "owner_org": "mduq", | 683 | "owner_org": "mduq", | ||
| 684 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 684 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 685 | "position": 25, | 685 | "position": 25, | ||
| 686 | "resource_type": "input-coordinates", | 686 | "resource_type": "input-coordinates", | ||
| 687 | "run": 3, | 687 | "run": 3, | ||
| 688 | "size": 50560986, | 688 | "size": 50560986, | ||
| 689 | "state": "active", | 689 | "state": "active", | ||
| 690 | "url": | 690 | "url": | ||
| 691 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00003.gro", | 691 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00003.gro", | ||
| 692 | "url_type": null | 692 | "url_type": null | ||
| 693 | }, | 693 | }, | ||
| 694 | { | 694 | { | ||
| 695 | "cache_last_updated": null, | 695 | "cache_last_updated": null, | ||
| 696 | "cache_url": null, | 696 | "cache_url": null, | ||
| 697 | "created": "2023-01-31T07:03:09.269901", | 697 | "created": "2023-01-31T07:03:09.269901", | ||
| 698 | "description": null, | 698 | "description": null, | ||
| 699 | "format": "log", | 699 | "format": "log", | ||
| 700 | "hash": "", | 700 | "hash": "", | ||
| 701 | "id": "b1b1cde8-f31d-46cc-b346-c7a36ac52d2b", | 701 | "id": "b1b1cde8-f31d-46cc-b346-c7a36ac52d2b", | ||
| 702 | "last_modified": null, | 702 | "last_modified": null, | ||
| 703 | "metadata_modified": "2023-01-31T07:03:09.226177", | 703 | "metadata_modified": "2023-01-31T07:03:09.226177", | ||
| 704 | "mimetype": null, | 704 | "mimetype": null, | ||
| 705 | "mimetype_inner": null, | 705 | "mimetype_inner": null, | ||
| 706 | "name": | 706 | "name": | ||
| 707 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00003.log", | 707 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00003.log", | ||
| 708 | "owner_org": "mduq", | 708 | "owner_org": "mduq", | ||
| 709 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 709 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 710 | "position": 26, | 710 | "position": 26, | ||
| 711 | "resource_type": "log", | 711 | "resource_type": "log", | ||
| 712 | "run": 3, | 712 | "run": 3, | ||
| 713 | "size": 32800, | 713 | "size": 32800, | ||
| 714 | "state": "active", | 714 | "state": "active", | ||
| 715 | "url": | 715 | "url": | ||
| 716 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00003.log", | 716 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00003.log", | ||
| 717 | "url_type": null | 717 | "url_type": null | ||
| 718 | }, | 718 | }, | ||
| 719 | { | 719 | { | ||
| 720 | "cache_last_updated": null, | 720 | "cache_last_updated": null, | ||
| 721 | "cache_url": null, | 721 | "cache_url": null, | ||
| 722 | "created": "2023-01-31T07:03:09.269902", | 722 | "created": "2023-01-31T07:03:09.269902", | ||
| 723 | "description": null, | 723 | "description": null, | ||
| 724 | "format": "edr", | 724 | "format": "edr", | ||
| 725 | "hash": "", | 725 | "hash": "", | ||
| 726 | "id": "d989085f-bbe4-4e2e-a4ca-fedc35f14f29", | 726 | "id": "d989085f-bbe4-4e2e-a4ca-fedc35f14f29", | ||
| 727 | "last_modified": null, | 727 | "last_modified": null, | ||
| 728 | "metadata_modified": "2023-01-31T07:03:09.226283", | 728 | "metadata_modified": "2023-01-31T07:03:09.226283", | ||
| 729 | "mimetype": null, | 729 | "mimetype": null, | ||
| 730 | "mimetype_inner": null, | 730 | "mimetype_inner": null, | ||
| 731 | "name": | 731 | "name": | ||
| 732 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00003.edr", | 732 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00003.edr", | ||
| 733 | "owner_org": "mduq", | 733 | "owner_org": "mduq", | ||
| 734 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 734 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 735 | "position": 27, | 735 | "position": 27, | ||
| 736 | "resource_type": "energy", | 736 | "resource_type": "energy", | ||
| 737 | "run": 3, | 737 | "run": 3, | ||
| 738 | "size": 249280, | 738 | "size": 249280, | ||
| 739 | "state": "active", | 739 | "state": "active", | ||
| 740 | "url": | 740 | "url": | ||
| 741 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00003.edr", | 741 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00003.edr", | ||
| 742 | "url_type": null | 742 | "url_type": null | ||
| 743 | }, | 743 | }, | ||
| 744 | { | 744 | { | ||
| 745 | "cache_last_updated": null, | 745 | "cache_last_updated": null, | ||
| 746 | "cache_url": null, | 746 | "cache_url": null, | ||
| 747 | "created": "2023-01-31T07:03:09.269905", | 747 | "created": "2023-01-31T07:03:09.269905", | ||
| 748 | "description": null, | 748 | "description": null, | ||
| 749 | "format": "top", | 749 | "format": "top", | ||
| 750 | "hash": "", | 750 | "hash": "", | ||
| 751 | "id": "9ca521a6-1f05-42ac-b4d1-9448f7052e26", | 751 | "id": "9ca521a6-1f05-42ac-b4d1-9448f7052e26", | ||
| 752 | "last_modified": null, | 752 | "last_modified": null, | ||
| 753 | "metadata_modified": "2023-01-31T07:03:09.226495", | 753 | "metadata_modified": "2023-01-31T07:03:09.226495", | ||
| 754 | "mimetype": null, | 754 | "mimetype": null, | ||
| 755 | "mimetype_inner": null, | 755 | "mimetype_inner": null, | ||
| 756 | "name": | 756 | "name": | ||
| 757 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00003.top", | 757 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00003.top", | ||
| 758 | "owner_org": "mduq", | 758 | "owner_org": "mduq", | ||
| 759 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 759 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 760 | "position": 28, | 760 | "position": 28, | ||
| 761 | "resource_type": "topology", | 761 | "resource_type": "topology", | ||
| 762 | "run": 3, | 762 | "run": 3, | ||
| 763 | "size": 3417, | 763 | "size": 3417, | ||
| 764 | "state": "active", | 764 | "state": "active", | ||
| 765 | "url": | 765 | "url": | ||
| 766 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00003.top", | 766 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00003.top", | ||
| 767 | "url_type": null | 767 | "url_type": null | ||
| 768 | }, | 768 | }, | ||
| 769 | { | 769 | { | ||
| 770 | "cache_last_updated": null, | 770 | "cache_last_updated": null, | ||
| 771 | "cache_url": null, | 771 | "cache_url": null, | ||
| 772 | "created": "2023-01-31T07:03:09.269906", | 772 | "created": "2023-01-31T07:03:09.269906", | ||
| 773 | "description": null, | 773 | "description": null, | ||
| 774 | "format": "gro", | 774 | "format": "gro", | ||
| 775 | "hash": "", | 775 | "hash": "", | ||
| 776 | "id": "75922715-b09c-42ac-8461-03028f6b78b5", | 776 | "id": "75922715-b09c-42ac-8461-03028f6b78b5", | ||
| 777 | "last_modified": null, | 777 | "last_modified": null, | ||
| 778 | "metadata_modified": "2023-01-31T07:03:09.226600", | 778 | "metadata_modified": "2023-01-31T07:03:09.226600", | ||
| 779 | "mimetype": null, | 779 | "mimetype": null, | ||
| 780 | "mimetype_inner": null, | 780 | "mimetype_inner": null, | ||
| 781 | "name": | 781 | "name": | ||
| 782 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00003.gro", | 782 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00003.gro", | ||
| 783 | "owner_org": "mduq", | 783 | "owner_org": "mduq", | ||
| 784 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 784 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 785 | "position": 29, | 785 | "position": 29, | ||
| 786 | "resource_type": "final-coordinates", | 786 | "resource_type": "final-coordinates", | ||
| 787 | "run": 3, | 787 | "run": 3, | ||
| 788 | "size": 50560986, | 788 | "size": 50560986, | ||
| 789 | "state": "active", | 789 | "state": "active", | ||
| 790 | "url": | 790 | "url": | ||
| 791 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00003.gro", | 791 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00003.gro", | ||
| 792 | "url_type": null | 792 | "url_type": null | ||
| 793 | }, | 793 | }, | ||
| 794 | { | 794 | { | ||
| 795 | "cache_last_updated": null, | 795 | "cache_last_updated": null, | ||
| 796 | "cache_url": null, | 796 | "cache_url": null, | ||
| 797 | "created": "2023-01-31T07:03:09.269907", | 797 | "created": "2023-01-31T07:03:09.269907", | ||
| 798 | "description": null, | 798 | "description": null, | ||
| 799 | "format": "gro", | 799 | "format": "gro", | ||
| 800 | "hash": "", | 800 | "hash": "", | ||
| 801 | "id": "1bf1f920-608c-4fb6-bac0-ccd59e415d7f", | 801 | "id": "1bf1f920-608c-4fb6-bac0-ccd59e415d7f", | ||
| 802 | "last_modified": null, | 802 | "last_modified": null, | ||
| 803 | "metadata_modified": "2023-01-31T07:03:09.226706", | 803 | "metadata_modified": "2023-01-31T07:03:09.226706", | ||
| 804 | "mimetype": null, | 804 | "mimetype": null, | ||
| 805 | "mimetype_inner": null, | 805 | "mimetype_inner": null, | ||
| 806 | "name": | 806 | "name": | ||
| 807 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00003.gro", | 807 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00003.gro", | ||
| 808 | "owner_org": "mduq", | 808 | "owner_org": "mduq", | ||
| 809 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 809 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 810 | "position": 30, | 810 | "position": 30, | ||
| 811 | "resource_type": "restraints", | 811 | "resource_type": "restraints", | ||
| 812 | "run": 3, | 812 | "run": 3, | ||
| 813 | "size": 50560986, | 813 | "size": 50560986, | ||
| 814 | "state": "active", | 814 | "state": "active", | ||
| 815 | "url": | 815 | "url": | ||
| 816 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00003.gro", | 816 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00003.gro", | ||
| 817 | "url_type": null | 817 | "url_type": null | ||
| 818 | }, | 818 | }, | ||
| 819 | { | 819 | { | ||
| 820 | "cache_last_updated": null, | 820 | "cache_last_updated": null, | ||
| 821 | "cache_url": null, | 821 | "cache_url": null, | ||
| 822 | "created": "2023-01-31T07:03:09.269909", | 822 | "created": "2023-01-31T07:03:09.269909", | ||
| 823 | "description": null, | 823 | "description": null, | ||
| 824 | "format": "mdp", | 824 | "format": "mdp", | ||
| 825 | "hash": "", | 825 | "hash": "", | ||
| 826 | "id": "1f4ba767-dc5b-44ab-95e7-82e9149a2229", | 826 | "id": "1f4ba767-dc5b-44ab-95e7-82e9149a2229", | ||
| 827 | "last_modified": null, | 827 | "last_modified": null, | ||
| 828 | "metadata_modified": "2023-01-31T07:03:09.226813", | 828 | "metadata_modified": "2023-01-31T07:03:09.226813", | ||
| 829 | "mimetype": null, | 829 | "mimetype": null, | ||
| 830 | "mimetype_inner": null, | 830 | "mimetype_inner": null, | ||
| 831 | "name": | 831 | "name": | ||
| 832 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00004.mdp", | 832 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00004.mdp", | ||
| 833 | "owner_org": "mduq", | 833 | "owner_org": "mduq", | ||
| 834 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 834 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 835 | "position": 31, | 835 | "position": 31, | ||
| 836 | "resource_type": "control", | 836 | "resource_type": "control", | ||
| 837 | "run": 4, | 837 | "run": 4, | ||
| 838 | "size": 1729, | 838 | "size": 1729, | ||
| 839 | "state": "active", | 839 | "state": "active", | ||
| 840 | "url": | 840 | "url": | ||
| 841 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00004.mdp", | 841 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00004.mdp", | ||
| 842 | "url_type": null | 842 | "url_type": null | ||
| 843 | }, | 843 | }, | ||
| 844 | { | 844 | { | ||
| 845 | "cache_last_updated": null, | 845 | "cache_last_updated": null, | ||
| 846 | "cache_url": null, | 846 | "cache_url": null, | ||
| 847 | "created": "2023-01-31T07:03:09.269914", | 847 | "created": "2023-01-31T07:03:09.269914", | ||
| 848 | "description": null, | 848 | "description": null, | ||
| 849 | "format": "tpr", | 849 | "format": "tpr", | ||
| 850 | "hash": "", | 850 | "hash": "", | ||
| 851 | "id": "f68ced56-abe2-4b96-9ee2-0bfe1dee3bde", | 851 | "id": "f68ced56-abe2-4b96-9ee2-0bfe1dee3bde", | ||
| 852 | "last_modified": null, | 852 | "last_modified": null, | ||
| 853 | "metadata_modified": "2023-02-02T05:01:10.051993", | 853 | "metadata_modified": "2023-02-02T05:01:10.051993", | ||
| 854 | "mimetype": null, | 854 | "mimetype": null, | ||
| 855 | "mimetype_inner": null, | 855 | "mimetype_inner": null, | ||
| 856 | "name": | 856 | "name": | ||
| 857 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00004.tpr", | 857 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00004.tpr", | ||
| 858 | "owner_org": "mduq", | 858 | "owner_org": "mduq", | ||
| 859 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 859 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 860 | "position": 32, | 860 | "position": 32, | ||
| 861 | "resource_type": "forcefield-files", | 861 | "resource_type": "forcefield-files", | ||
| 862 | "run": 4, | 862 | "run": 4, | ||
| 863 | "size": 20097248, | 863 | "size": 20097248, | ||
| 864 | "state": "active", | 864 | "state": "active", | ||
| 865 | "url": | 865 | "url": | ||
| 866 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00004.tpr", | 866 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00004.tpr", | ||
| 867 | "url_type": null | 867 | "url_type": null | ||
| 868 | }, | 868 | }, | ||
| 869 | { | 869 | { | ||
| 870 | "cache_last_updated": null, | 870 | "cache_last_updated": null, | ||
| 871 | "cache_url": null, | 871 | "cache_url": null, | ||
| 872 | "created": "2023-01-31T07:03:09.269910", | 872 | "created": "2023-01-31T07:03:09.269910", | ||
| 873 | "description": null, | 873 | "description": null, | ||
| 874 | "format": "gro", | 874 | "format": "gro", | ||
| 875 | "hash": "", | 875 | "hash": "", | ||
| 876 | "id": "e4628585-1d26-492f-8828-d5fbff783812", | 876 | "id": "e4628585-1d26-492f-8828-d5fbff783812", | ||
| 877 | "last_modified": null, | 877 | "last_modified": null, | ||
| 878 | "metadata_modified": "2023-01-31T07:03:09.226919", | 878 | "metadata_modified": "2023-01-31T07:03:09.226919", | ||
| 879 | "mimetype": null, | 879 | "mimetype": null, | ||
| 880 | "mimetype_inner": null, | 880 | "mimetype_inner": null, | ||
| 881 | "name": | 881 | "name": | ||
| 882 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00004.gro", | 882 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00004.gro", | ||
| 883 | "owner_org": "mduq", | 883 | "owner_org": "mduq", | ||
| 884 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 884 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 885 | "position": 33, | 885 | "position": 33, | ||
| 886 | "resource_type": "input-coordinates", | 886 | "resource_type": "input-coordinates", | ||
| 887 | "run": 4, | 887 | "run": 4, | ||
| 888 | "size": 36863797, | 888 | "size": 36863797, | ||
| 889 | "state": "active", | 889 | "state": "active", | ||
| 890 | "url": | 890 | "url": | ||
| 891 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00004.gro", | 891 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00004.gro", | ||
| 892 | "url_type": null | 892 | "url_type": null | ||
| 893 | }, | 893 | }, | ||
| 894 | { | 894 | { | ||
| 895 | "cache_last_updated": null, | 895 | "cache_last_updated": null, | ||
| 896 | "cache_url": null, | 896 | "cache_url": null, | ||
| 897 | "created": "2023-01-31T07:03:09.269911", | 897 | "created": "2023-01-31T07:03:09.269911", | ||
| 898 | "description": null, | 898 | "description": null, | ||
| 899 | "format": "log", | 899 | "format": "log", | ||
| 900 | "hash": "", | 900 | "hash": "", | ||
| 901 | "id": "360bfe73-5328-4c87-9972-f822042705a3", | 901 | "id": "360bfe73-5328-4c87-9972-f822042705a3", | ||
| 902 | "last_modified": null, | 902 | "last_modified": null, | ||
| 903 | "metadata_modified": "2023-01-31T07:03:09.227025", | 903 | "metadata_modified": "2023-01-31T07:03:09.227025", | ||
| 904 | "mimetype": null, | 904 | "mimetype": null, | ||
| 905 | "mimetype_inner": null, | 905 | "mimetype_inner": null, | ||
| 906 | "name": | 906 | "name": | ||
| 907 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00004.log", | 907 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00004.log", | ||
| 908 | "owner_org": "mduq", | 908 | "owner_org": "mduq", | ||
| 909 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 909 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 910 | "position": 34, | 910 | "position": 34, | ||
| 911 | "resource_type": "log", | 911 | "resource_type": "log", | ||
| 912 | "run": 4, | 912 | "run": 4, | ||
| 913 | "size": 32796, | 913 | "size": 32796, | ||
| 914 | "state": "active", | 914 | "state": "active", | ||
| 915 | "url": | 915 | "url": | ||
| 916 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00004.log", | 916 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00004.log", | ||
| 917 | "url_type": null | 917 | "url_type": null | ||
| 918 | }, | 918 | }, | ||
| 919 | { | 919 | { | ||
| 920 | "cache_last_updated": null, | 920 | "cache_last_updated": null, | ||
| 921 | "cache_url": null, | 921 | "cache_url": null, | ||
| 922 | "created": "2023-01-31T07:03:09.269913", | 922 | "created": "2023-01-31T07:03:09.269913", | ||
| 923 | "description": null, | 923 | "description": null, | ||
| 924 | "format": "edr", | 924 | "format": "edr", | ||
| 925 | "hash": "", | 925 | "hash": "", | ||
| 926 | "id": "f50fcee6-e010-4939-be1f-ad4d54fab821", | 926 | "id": "f50fcee6-e010-4939-be1f-ad4d54fab821", | ||
| 927 | "last_modified": null, | 927 | "last_modified": null, | ||
| 928 | "metadata_modified": "2023-01-31T07:03:09.227132", | 928 | "metadata_modified": "2023-01-31T07:03:09.227132", | ||
| 929 | "mimetype": null, | 929 | "mimetype": null, | ||
| 930 | "mimetype_inner": null, | 930 | "mimetype_inner": null, | ||
| 931 | "name": | 931 | "name": | ||
| 932 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00004.edr", | 932 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00004.edr", | ||
| 933 | "owner_org": "mduq", | 933 | "owner_org": "mduq", | ||
| 934 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 934 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 935 | "position": 35, | 935 | "position": 35, | ||
| 936 | "resource_type": "energy", | 936 | "resource_type": "energy", | ||
| 937 | "run": 4, | 937 | "run": 4, | ||
| 938 | "size": 249280, | 938 | "size": 249280, | ||
| 939 | "state": "active", | 939 | "state": "active", | ||
| 940 | "url": | 940 | "url": | ||
| 941 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00004.edr", | 941 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00004.edr", | ||
| 942 | "url_type": null | 942 | "url_type": null | ||
| 943 | }, | 943 | }, | ||
| 944 | { | 944 | { | ||
| 945 | "cache_last_updated": null, | 945 | "cache_last_updated": null, | ||
| 946 | "cache_url": null, | 946 | "cache_url": null, | ||
| 947 | "created": "2023-01-31T07:03:09.269915", | 947 | "created": "2023-01-31T07:03:09.269915", | ||
| 948 | "description": null, | 948 | "description": null, | ||
| 949 | "format": "top", | 949 | "format": "top", | ||
| 950 | "hash": "", | 950 | "hash": "", | ||
| 951 | "id": "1c8f2abf-ef0d-467a-aec1-d8bfa2742403", | 951 | "id": "1c8f2abf-ef0d-467a-aec1-d8bfa2742403", | ||
| 952 | "last_modified": null, | 952 | "last_modified": null, | ||
| 953 | "metadata_modified": "2023-01-31T07:03:09.227348", | 953 | "metadata_modified": "2023-01-31T07:03:09.227348", | ||
| 954 | "mimetype": null, | 954 | "mimetype": null, | ||
| 955 | "mimetype_inner": null, | 955 | "mimetype_inner": null, | ||
| 956 | "name": | 956 | "name": | ||
| 957 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00004.top", | 957 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00004.top", | ||
| 958 | "owner_org": "mduq", | 958 | "owner_org": "mduq", | ||
| 959 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 959 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 960 | "position": 36, | 960 | "position": 36, | ||
| 961 | "resource_type": "topology", | 961 | "resource_type": "topology", | ||
| 962 | "run": 4, | 962 | "run": 4, | ||
| 963 | "size": 3417, | 963 | "size": 3417, | ||
| 964 | "state": "active", | 964 | "state": "active", | ||
| 965 | "url": | 965 | "url": | ||
| 966 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00004.top", | 966 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00004.top", | ||
| 967 | "url_type": null | 967 | "url_type": null | ||
| 968 | }, | 968 | }, | ||
| 969 | { | 969 | { | ||
| 970 | "cache_last_updated": null, | 970 | "cache_last_updated": null, | ||
| 971 | "cache_url": null, | 971 | "cache_url": null, | ||
| 972 | "created": "2023-01-31T07:03:09.269916", | 972 | "created": "2023-01-31T07:03:09.269916", | ||
| 973 | "description": null, | 973 | "description": null, | ||
| 974 | "format": "gro", | 974 | "format": "gro", | ||
| 975 | "hash": "", | 975 | "hash": "", | ||
| 976 | "id": "4de5981b-87c8-49bd-b9db-d5a67cdf9a99", | 976 | "id": "4de5981b-87c8-49bd-b9db-d5a67cdf9a99", | ||
| 977 | "last_modified": null, | 977 | "last_modified": null, | ||
| 978 | "metadata_modified": "2023-01-31T07:03:09.227454", | 978 | "metadata_modified": "2023-01-31T07:03:09.227454", | ||
| 979 | "mimetype": null, | 979 | "mimetype": null, | ||
| 980 | "mimetype_inner": null, | 980 | "mimetype_inner": null, | ||
| 981 | "name": | 981 | "name": | ||
| 982 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00004.gro", | 982 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00004.gro", | ||
| 983 | "owner_org": "mduq", | 983 | "owner_org": "mduq", | ||
| 984 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 984 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 985 | "position": 37, | 985 | "position": 37, | ||
| 986 | "resource_type": "final-coordinates", | 986 | "resource_type": "final-coordinates", | ||
| 987 | "run": 4, | 987 | "run": 4, | ||
| 988 | "size": 36863778, | 988 | "size": 36863778, | ||
| 989 | "state": "active", | 989 | "state": "active", | ||
| 990 | "url": | 990 | "url": | ||
| 991 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00004.gro", | 991 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00004.gro", | ||
| 992 | "url_type": null | 992 | "url_type": null | ||
| 993 | }, | 993 | }, | ||
| 994 | { | 994 | { | ||
| 995 | "cache_last_updated": null, | 995 | "cache_last_updated": null, | ||
| 996 | "cache_url": null, | 996 | "cache_url": null, | ||
| 997 | "created": "2023-01-31T07:03:09.269918", | 997 | "created": "2023-01-31T07:03:09.269918", | ||
| 998 | "description": null, | 998 | "description": null, | ||
| 999 | "format": "gro", | 999 | "format": "gro", | ||
| 1000 | "hash": "", | 1000 | "hash": "", | ||
| 1001 | "id": "38960cc7-163d-4225-84bc-aecafad4735e", | 1001 | "id": "38960cc7-163d-4225-84bc-aecafad4735e", | ||
| 1002 | "last_modified": null, | 1002 | "last_modified": null, | ||
| 1003 | "metadata_modified": "2023-01-31T07:03:09.227560", | 1003 | "metadata_modified": "2023-01-31T07:03:09.227560", | ||
| 1004 | "mimetype": null, | 1004 | "mimetype": null, | ||
| 1005 | "mimetype_inner": null, | 1005 | "mimetype_inner": null, | ||
| 1006 | "name": | 1006 | "name": | ||
| 1007 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00004.gro", | 1007 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00004.gro", | ||
| 1008 | "owner_org": "mduq", | 1008 | "owner_org": "mduq", | ||
| 1009 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1009 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1010 | "position": 38, | 1010 | "position": 38, | ||
| 1011 | "resource_type": "restraints", | 1011 | "resource_type": "restraints", | ||
| 1012 | "run": 4, | 1012 | "run": 4, | ||
| 1013 | "size": 36863797, | 1013 | "size": 36863797, | ||
| 1014 | "state": "active", | 1014 | "state": "active", | ||
| 1015 | "url": | 1015 | "url": | ||
| 1016 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00004.gro", | 1016 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00004.gro", | ||
| 1017 | "url_type": null | 1017 | "url_type": null | ||
| 1018 | }, | 1018 | }, | ||
| 1019 | { | 1019 | { | ||
| 1020 | "cache_last_updated": null, | 1020 | "cache_last_updated": null, | ||
| 1021 | "cache_url": null, | 1021 | "cache_url": null, | ||
| 1022 | "created": "2023-01-31T07:03:09.269919", | 1022 | "created": "2023-01-31T07:03:09.269919", | ||
| 1023 | "description": null, | 1023 | "description": null, | ||
| 1024 | "format": "mdp", | 1024 | "format": "mdp", | ||
| 1025 | "hash": "", | 1025 | "hash": "", | ||
| 1026 | "id": "78aa05da-c81d-4069-9989-b1061abd4593", | 1026 | "id": "78aa05da-c81d-4069-9989-b1061abd4593", | ||
| 1027 | "last_modified": null, | 1027 | "last_modified": null, | ||
| 1028 | "metadata_modified": "2023-01-31T07:03:09.227666", | 1028 | "metadata_modified": "2023-01-31T07:03:09.227666", | ||
| 1029 | "mimetype": null, | 1029 | "mimetype": null, | ||
| 1030 | "mimetype_inner": null, | 1030 | "mimetype_inner": null, | ||
| 1031 | "name": | 1031 | "name": | ||
| 1032 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00005.mdp", | 1032 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00005.mdp", | ||
| 1033 | "owner_org": "mduq", | 1033 | "owner_org": "mduq", | ||
| 1034 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1034 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1035 | "position": 39, | 1035 | "position": 39, | ||
| 1036 | "resource_type": "control", | 1036 | "resource_type": "control", | ||
| 1037 | "run": 5, | 1037 | "run": 5, | ||
| 1038 | "size": 1727, | 1038 | "size": 1727, | ||
| 1039 | "state": "active", | 1039 | "state": "active", | ||
| 1040 | "url": | 1040 | "url": | ||
| 1041 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00005.mdp", | 1041 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00005.mdp", | ||
| 1042 | "url_type": null | 1042 | "url_type": null | ||
| 1043 | }, | 1043 | }, | ||
| 1044 | { | 1044 | { | ||
| 1045 | "cache_last_updated": null, | 1045 | "cache_last_updated": null, | ||
| 1046 | "cache_url": null, | 1046 | "cache_url": null, | ||
| 1047 | "created": "2023-01-31T07:03:09.269924", | 1047 | "created": "2023-01-31T07:03:09.269924", | ||
| 1048 | "description": null, | 1048 | "description": null, | ||
| 1049 | "format": "tpr", | 1049 | "format": "tpr", | ||
| 1050 | "hash": "", | 1050 | "hash": "", | ||
| 1051 | "id": "d9cdb5ac-69f1-46a5-8815-9ca661d9fc24", | 1051 | "id": "d9cdb5ac-69f1-46a5-8815-9ca661d9fc24", | ||
| 1052 | "last_modified": null, | 1052 | "last_modified": null, | ||
| 1053 | "metadata_modified": "2023-02-02T05:01:10.052583", | 1053 | "metadata_modified": "2023-02-02T05:01:10.052583", | ||
| 1054 | "mimetype": null, | 1054 | "mimetype": null, | ||
| 1055 | "mimetype_inner": null, | 1055 | "mimetype_inner": null, | ||
| 1056 | "name": | 1056 | "name": | ||
| 1057 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00005.tpr", | 1057 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00005.tpr", | ||
| 1058 | "owner_org": "mduq", | 1058 | "owner_org": "mduq", | ||
| 1059 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1059 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1060 | "position": 40, | 1060 | "position": 40, | ||
| 1061 | "resource_type": "forcefield-files", | 1061 | "resource_type": "forcefield-files", | ||
| 1062 | "run": 5, | 1062 | "run": 5, | ||
| 1063 | "size": 15566848, | 1063 | "size": 15566848, | ||
| 1064 | "state": "active", | 1064 | "state": "active", | ||
| 1065 | "url": | 1065 | "url": | ||
| 1066 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00005.tpr", | 1066 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00005.tpr", | ||
| 1067 | "url_type": null | 1067 | "url_type": null | ||
| 1068 | }, | 1068 | }, | ||
| 1069 | { | 1069 | { | ||
| 1070 | "cache_last_updated": null, | 1070 | "cache_last_updated": null, | ||
| 1071 | "cache_url": null, | 1071 | "cache_url": null, | ||
| 1072 | "created": "2023-01-31T07:03:09.269920", | 1072 | "created": "2023-01-31T07:03:09.269920", | ||
| 1073 | "description": null, | 1073 | "description": null, | ||
| 1074 | "format": "gro", | 1074 | "format": "gro", | ||
| 1075 | "hash": "", | 1075 | "hash": "", | ||
| 1076 | "id": "6da079a4-a42a-4469-8120-0a9052a9d67d", | 1076 | "id": "6da079a4-a42a-4469-8120-0a9052a9d67d", | ||
| 1077 | "last_modified": null, | 1077 | "last_modified": null, | ||
| 1078 | "metadata_modified": "2023-01-31T07:03:09.227772", | 1078 | "metadata_modified": "2023-01-31T07:03:09.227772", | ||
| 1079 | "mimetype": null, | 1079 | "mimetype": null, | ||
| 1080 | "mimetype_inner": null, | 1080 | "mimetype_inner": null, | ||
| 1081 | "name": | 1081 | "name": | ||
| 1082 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00005.gro", | 1082 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00005.gro", | ||
| 1083 | "owner_org": "mduq", | 1083 | "owner_org": "mduq", | ||
| 1084 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1084 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1085 | "position": 41, | 1085 | "position": 41, | ||
| 1086 | "resource_type": "input-coordinates", | 1086 | "resource_type": "input-coordinates", | ||
| 1087 | "run": 5, | 1087 | "run": 5, | ||
| 1088 | "size": 25699597, | 1088 | "size": 25699597, | ||
| 1089 | "state": "active", | 1089 | "state": "active", | ||
| 1090 | "url": | 1090 | "url": | ||
| 1091 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00005.gro", | 1091 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00005.gro", | ||
| 1092 | "url_type": null | 1092 | "url_type": null | ||
| 1093 | }, | 1093 | }, | ||
| 1094 | { | 1094 | { | ||
| 1095 | "cache_last_updated": null, | 1095 | "cache_last_updated": null, | ||
| 1096 | "cache_url": null, | 1096 | "cache_url": null, | ||
| 1097 | "created": "2023-01-31T07:03:09.269921", | 1097 | "created": "2023-01-31T07:03:09.269921", | ||
| 1098 | "description": null, | 1098 | "description": null, | ||
| 1099 | "format": "log", | 1099 | "format": "log", | ||
| 1100 | "hash": "", | 1100 | "hash": "", | ||
| 1101 | "id": "e7eb3513-535e-452c-b1f0-74290e6603c9", | 1101 | "id": "e7eb3513-535e-452c-b1f0-74290e6603c9", | ||
| 1102 | "last_modified": null, | 1102 | "last_modified": null, | ||
| 1103 | "metadata_modified": "2023-01-31T07:03:09.227878", | 1103 | "metadata_modified": "2023-01-31T07:03:09.227878", | ||
| 1104 | "mimetype": null, | 1104 | "mimetype": null, | ||
| 1105 | "mimetype_inner": null, | 1105 | "mimetype_inner": null, | ||
| 1106 | "name": | 1106 | "name": | ||
| 1107 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00005.log", | 1107 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00005.log", | ||
| 1108 | "owner_org": "mduq", | 1108 | "owner_org": "mduq", | ||
| 1109 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1109 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1110 | "position": 42, | 1110 | "position": 42, | ||
| 1111 | "resource_type": "log", | 1111 | "resource_type": "log", | ||
| 1112 | "run": 5, | 1112 | "run": 5, | ||
| 1113 | "size": 32798, | 1113 | "size": 32798, | ||
| 1114 | "state": "active", | 1114 | "state": "active", | ||
| 1115 | "url": | 1115 | "url": | ||
| 1116 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00005.log", | 1116 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00005.log", | ||
| 1117 | "url_type": null | 1117 | "url_type": null | ||
| 1118 | }, | 1118 | }, | ||
| 1119 | { | 1119 | { | ||
| 1120 | "cache_last_updated": null, | 1120 | "cache_last_updated": null, | ||
| 1121 | "cache_url": null, | 1121 | "cache_url": null, | ||
| 1122 | "created": "2023-01-31T07:03:09.269923", | 1122 | "created": "2023-01-31T07:03:09.269923", | ||
| 1123 | "description": null, | 1123 | "description": null, | ||
| 1124 | "format": "edr", | 1124 | "format": "edr", | ||
| 1125 | "hash": "", | 1125 | "hash": "", | ||
| 1126 | "id": "d10ddf61-e319-4e90-9d1a-0be8505fdb21", | 1126 | "id": "d10ddf61-e319-4e90-9d1a-0be8505fdb21", | ||
| 1127 | "last_modified": null, | 1127 | "last_modified": null, | ||
| 1128 | "metadata_modified": "2023-01-31T07:03:09.227984", | 1128 | "metadata_modified": "2023-01-31T07:03:09.227984", | ||
| 1129 | "mimetype": null, | 1129 | "mimetype": null, | ||
| 1130 | "mimetype_inner": null, | 1130 | "mimetype_inner": null, | ||
| 1131 | "name": | 1131 | "name": | ||
| 1132 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00005.edr", | 1132 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00005.edr", | ||
| 1133 | "owner_org": "mduq", | 1133 | "owner_org": "mduq", | ||
| 1134 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1134 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1135 | "position": 43, | 1135 | "position": 43, | ||
| 1136 | "resource_type": "energy", | 1136 | "resource_type": "energy", | ||
| 1137 | "run": 5, | 1137 | "run": 5, | ||
| 1138 | "size": 249280, | 1138 | "size": 249280, | ||
| 1139 | "state": "active", | 1139 | "state": "active", | ||
| 1140 | "url": | 1140 | "url": | ||
| 1141 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00005.edr", | 1141 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00005.edr", | ||
| 1142 | "url_type": null | 1142 | "url_type": null | ||
| 1143 | }, | 1143 | }, | ||
| 1144 | { | 1144 | { | ||
| 1145 | "cache_last_updated": null, | 1145 | "cache_last_updated": null, | ||
| 1146 | "cache_url": null, | 1146 | "cache_url": null, | ||
| 1147 | "created": "2023-01-31T07:03:09.269925", | 1147 | "created": "2023-01-31T07:03:09.269925", | ||
| 1148 | "description": null, | 1148 | "description": null, | ||
| 1149 | "format": "top", | 1149 | "format": "top", | ||
| 1150 | "hash": "", | 1150 | "hash": "", | ||
| 1151 | "id": "6300a1a3-3f7f-4741-96e8-2a14863d2db7", | 1151 | "id": "6300a1a3-3f7f-4741-96e8-2a14863d2db7", | ||
| 1152 | "last_modified": null, | 1152 | "last_modified": null, | ||
| 1153 | "metadata_modified": "2023-01-31T07:03:09.228199", | 1153 | "metadata_modified": "2023-01-31T07:03:09.228199", | ||
| 1154 | "mimetype": null, | 1154 | "mimetype": null, | ||
| 1155 | "mimetype_inner": null, | 1155 | "mimetype_inner": null, | ||
| 1156 | "name": | 1156 | "name": | ||
| 1157 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00005.top", | 1157 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00005.top", | ||
| 1158 | "owner_org": "mduq", | 1158 | "owner_org": "mduq", | ||
| 1159 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1159 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1160 | "position": 44, | 1160 | "position": 44, | ||
| 1161 | "resource_type": "topology", | 1161 | "resource_type": "topology", | ||
| 1162 | "run": 5, | 1162 | "run": 5, | ||
| 1163 | "size": 3412, | 1163 | "size": 3412, | ||
| 1164 | "state": "active", | 1164 | "state": "active", | ||
| 1165 | "url": | 1165 | "url": | ||
| 1166 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00005.top", | 1166 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00005.top", | ||
| 1167 | "url_type": null | 1167 | "url_type": null | ||
| 1168 | }, | 1168 | }, | ||
| 1169 | { | 1169 | { | ||
| 1170 | "cache_last_updated": null, | 1170 | "cache_last_updated": null, | ||
| 1171 | "cache_url": null, | 1171 | "cache_url": null, | ||
| 1172 | "created": "2023-01-31T07:03:09.269926", | 1172 | "created": "2023-01-31T07:03:09.269926", | ||
| 1173 | "description": null, | 1173 | "description": null, | ||
| 1174 | "format": "gro", | 1174 | "format": "gro", | ||
| 1175 | "hash": "", | 1175 | "hash": "", | ||
| 1176 | "id": "b125fe36-4d08-4725-8c3e-2bf7b6e2ca9a", | 1176 | "id": "b125fe36-4d08-4725-8c3e-2bf7b6e2ca9a", | ||
| 1177 | "last_modified": null, | 1177 | "last_modified": null, | ||
| 1178 | "metadata_modified": "2023-01-31T07:03:09.228306", | 1178 | "metadata_modified": "2023-01-31T07:03:09.228306", | ||
| 1179 | "mimetype": null, | 1179 | "mimetype": null, | ||
| 1180 | "mimetype_inner": null, | 1180 | "mimetype_inner": null, | ||
| 1181 | "name": | 1181 | "name": | ||
| 1182 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00005.gro", | 1182 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00005.gro", | ||
| 1183 | "owner_org": "mduq", | 1183 | "owner_org": "mduq", | ||
| 1184 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1184 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1185 | "position": 45, | 1185 | "position": 45, | ||
| 1186 | "resource_type": "final-coordinates", | 1186 | "resource_type": "final-coordinates", | ||
| 1187 | "run": 5, | 1187 | "run": 5, | ||
| 1188 | "size": 25699578, | 1188 | "size": 25699578, | ||
| 1189 | "state": "active", | 1189 | "state": "active", | ||
| 1190 | "url": | 1190 | "url": | ||
| 1191 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00005.gro", | 1191 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00005.gro", | ||
| 1192 | "url_type": null | 1192 | "url_type": null | ||
| 1193 | }, | 1193 | }, | ||
| 1194 | { | 1194 | { | ||
| 1195 | "cache_last_updated": null, | 1195 | "cache_last_updated": null, | ||
| 1196 | "cache_url": null, | 1196 | "cache_url": null, | ||
| 1197 | "created": "2023-01-31T07:03:09.269928", | 1197 | "created": "2023-01-31T07:03:09.269928", | ||
| 1198 | "description": null, | 1198 | "description": null, | ||
| 1199 | "format": "gro", | 1199 | "format": "gro", | ||
| 1200 | "hash": "", | 1200 | "hash": "", | ||
| 1201 | "id": "39053d11-9e38-4754-92ab-d09651364194", | 1201 | "id": "39053d11-9e38-4754-92ab-d09651364194", | ||
| 1202 | "last_modified": null, | 1202 | "last_modified": null, | ||
| 1203 | "metadata_modified": "2023-01-31T07:03:09.228413", | 1203 | "metadata_modified": "2023-01-31T07:03:09.228413", | ||
| 1204 | "mimetype": null, | 1204 | "mimetype": null, | ||
| 1205 | "mimetype_inner": null, | 1205 | "mimetype_inner": null, | ||
| 1206 | "name": | 1206 | "name": | ||
| 1207 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00005.gro", | 1207 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00005.gro", | ||
| 1208 | "owner_org": "mduq", | 1208 | "owner_org": "mduq", | ||
| 1209 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1209 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1210 | "position": 46, | 1210 | "position": 46, | ||
| 1211 | "resource_type": "restraints", | 1211 | "resource_type": "restraints", | ||
| 1212 | "run": 5, | 1212 | "run": 5, | ||
| 1213 | "size": 25699596, | 1213 | "size": 25699596, | ||
| 1214 | "state": "active", | 1214 | "state": "active", | ||
| 1215 | "url": | 1215 | "url": | ||
| 1216 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00005.gro", | 1216 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00005.gro", | ||
| 1217 | "url_type": null | 1217 | "url_type": null | ||
| 1218 | }, | 1218 | }, | ||
| 1219 | { | 1219 | { | ||
| 1220 | "cache_last_updated": null, | 1220 | "cache_last_updated": null, | ||
| 1221 | "cache_url": null, | 1221 | "cache_url": null, | ||
| 1222 | "created": "2023-01-31T07:03:09.269929", | 1222 | "created": "2023-01-31T07:03:09.269929", | ||
| 1223 | "description": null, | 1223 | "description": null, | ||
| 1224 | "format": "mdp", | 1224 | "format": "mdp", | ||
| 1225 | "hash": "", | 1225 | "hash": "", | ||
| 1226 | "id": "dccacc57-3276-4bfc-994f-a4facd497f2d", | 1226 | "id": "dccacc57-3276-4bfc-994f-a4facd497f2d", | ||
| 1227 | "last_modified": null, | 1227 | "last_modified": null, | ||
| 1228 | "metadata_modified": "2023-01-31T07:03:09.228520", | 1228 | "metadata_modified": "2023-01-31T07:03:09.228520", | ||
| 1229 | "mimetype": null, | 1229 | "mimetype": null, | ||
| 1230 | "mimetype_inner": null, | 1230 | "mimetype_inner": null, | ||
| 1231 | "name": | 1231 | "name": | ||
| 1232 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00006.mdp", | 1232 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00006.mdp", | ||
| 1233 | "owner_org": "mduq", | 1233 | "owner_org": "mduq", | ||
| 1234 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1234 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1235 | "position": 47, | 1235 | "position": 47, | ||
| 1236 | "resource_type": "control", | 1236 | "resource_type": "control", | ||
| 1237 | "run": 6, | 1237 | "run": 6, | ||
| 1238 | "size": 1729, | 1238 | "size": 1729, | ||
| 1239 | "state": "active", | 1239 | "state": "active", | ||
| 1240 | "url": | 1240 | "url": | ||
| 1241 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00006.mdp", | 1241 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00006.mdp", | ||
| 1242 | "url_type": null | 1242 | "url_type": null | ||
| 1243 | }, | 1243 | }, | ||
| 1244 | { | 1244 | { | ||
| 1245 | "cache_last_updated": null, | 1245 | "cache_last_updated": null, | ||
| 1246 | "cache_url": null, | 1246 | "cache_url": null, | ||
| 1247 | "created": "2023-01-31T07:03:09.269934", | 1247 | "created": "2023-01-31T07:03:09.269934", | ||
| 1248 | "description": null, | 1248 | "description": null, | ||
| 1249 | "format": "tpr", | 1249 | "format": "tpr", | ||
| 1250 | "hash": "", | 1250 | "hash": "", | ||
| 1251 | "id": "e79432df-26aa-4b4a-87c7-b2c764d987d8", | 1251 | "id": "e79432df-26aa-4b4a-87c7-b2c764d987d8", | ||
| 1252 | "last_modified": null, | 1252 | "last_modified": null, | ||
| 1253 | "metadata_modified": "2023-02-02T05:01:10.053175", | 1253 | "metadata_modified": "2023-02-02T05:01:10.053175", | ||
| 1254 | "mimetype": null, | 1254 | "mimetype": null, | ||
| 1255 | "mimetype_inner": null, | 1255 | "mimetype_inner": null, | ||
| 1256 | "name": | 1256 | "name": | ||
| 1257 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00006.tpr", | 1257 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00006.tpr", | ||
| 1258 | "owner_org": "mduq", | 1258 | "owner_org": "mduq", | ||
| 1259 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1259 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1260 | "position": 48, | 1260 | "position": 48, | ||
| 1261 | "resource_type": "forcefield-files", | 1261 | "resource_type": "forcefield-files", | ||
| 1262 | "run": 6, | 1262 | "run": 6, | ||
| 1263 | "size": 14029228, | 1263 | "size": 14029228, | ||
| 1264 | "state": "active", | 1264 | "state": "active", | ||
| 1265 | "url": | 1265 | "url": | ||
| 1266 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00006.tpr", | 1266 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00006.tpr", | ||
| 1267 | "url_type": null | 1267 | "url_type": null | ||
| 1268 | }, | 1268 | }, | ||
| 1269 | { | 1269 | { | ||
| 1270 | "cache_last_updated": null, | 1270 | "cache_last_updated": null, | ||
| 1271 | "cache_url": null, | 1271 | "cache_url": null, | ||
| 1272 | "created": "2023-01-31T07:03:09.269930", | 1272 | "created": "2023-01-31T07:03:09.269930", | ||
| 1273 | "description": null, | 1273 | "description": null, | ||
| 1274 | "format": "gro", | 1274 | "format": "gro", | ||
| 1275 | "hash": "", | 1275 | "hash": "", | ||
| 1276 | "id": "5e869f9f-cbf3-4084-bd5e-226ee9171bbc", | 1276 | "id": "5e869f9f-cbf3-4084-bd5e-226ee9171bbc", | ||
| 1277 | "last_modified": null, | 1277 | "last_modified": null, | ||
| 1278 | "metadata_modified": "2023-01-31T07:03:09.228625", | 1278 | "metadata_modified": "2023-01-31T07:03:09.228625", | ||
| 1279 | "mimetype": null, | 1279 | "mimetype": null, | ||
| 1280 | "mimetype_inner": null, | 1280 | "mimetype_inner": null, | ||
| 1281 | "name": | 1281 | "name": | ||
| 1282 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00006.gro", | 1282 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00006.gro", | ||
| 1283 | "owner_org": "mduq", | 1283 | "owner_org": "mduq", | ||
| 1284 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1284 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1285 | "position": 49, | 1285 | "position": 49, | ||
| 1286 | "resource_type": "input-coordinates", | 1286 | "resource_type": "input-coordinates", | ||
| 1287 | "run": 6, | 1287 | "run": 6, | ||
| 1288 | "size": 21910462, | 1288 | "size": 21910462, | ||
| 1289 | "state": "active", | 1289 | "state": "active", | ||
| 1290 | "url": | 1290 | "url": | ||
| 1291 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00006.gro", | 1291 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00006.gro", | ||
| 1292 | "url_type": null | 1292 | "url_type": null | ||
| 1293 | }, | 1293 | }, | ||
| 1294 | { | 1294 | { | ||
| 1295 | "cache_last_updated": null, | 1295 | "cache_last_updated": null, | ||
| 1296 | "cache_url": null, | 1296 | "cache_url": null, | ||
| 1297 | "created": "2023-01-31T07:03:09.269931", | 1297 | "created": "2023-01-31T07:03:09.269931", | ||
| 1298 | "description": null, | 1298 | "description": null, | ||
| 1299 | "format": "log", | 1299 | "format": "log", | ||
| 1300 | "hash": "", | 1300 | "hash": "", | ||
| 1301 | "id": "d9835e61-b5c8-4a3d-b4f8-7bdfe071f9fe", | 1301 | "id": "d9835e61-b5c8-4a3d-b4f8-7bdfe071f9fe", | ||
| 1302 | "last_modified": null, | 1302 | "last_modified": null, | ||
| 1303 | "metadata_modified": "2023-01-31T07:03:09.228732", | 1303 | "metadata_modified": "2023-01-31T07:03:09.228732", | ||
| 1304 | "mimetype": null, | 1304 | "mimetype": null, | ||
| 1305 | "mimetype_inner": null, | 1305 | "mimetype_inner": null, | ||
| 1306 | "name": | 1306 | "name": | ||
| 1307 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00006.log", | 1307 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00006.log", | ||
| 1308 | "owner_org": "mduq", | 1308 | "owner_org": "mduq", | ||
| 1309 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1309 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1310 | "position": 50, | 1310 | "position": 50, | ||
| 1311 | "resource_type": "log", | 1311 | "resource_type": "log", | ||
| 1312 | "run": 6, | 1312 | "run": 6, | ||
| 1313 | "size": 32800, | 1313 | "size": 32800, | ||
| 1314 | "state": "active", | 1314 | "state": "active", | ||
| 1315 | "url": | 1315 | "url": | ||
| 1316 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00006.log", | 1316 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00006.log", | ||
| 1317 | "url_type": null | 1317 | "url_type": null | ||
| 1318 | }, | 1318 | }, | ||
| 1319 | { | 1319 | { | ||
| 1320 | "cache_last_updated": null, | 1320 | "cache_last_updated": null, | ||
| 1321 | "cache_url": null, | 1321 | "cache_url": null, | ||
| 1322 | "created": "2023-01-31T07:03:09.269933", | 1322 | "created": "2023-01-31T07:03:09.269933", | ||
| 1323 | "description": null, | 1323 | "description": null, | ||
| 1324 | "format": "edr", | 1324 | "format": "edr", | ||
| 1325 | "hash": "", | 1325 | "hash": "", | ||
| 1326 | "id": "6807e7c6-41c4-4f62-8655-57402a4cda9a", | 1326 | "id": "6807e7c6-41c4-4f62-8655-57402a4cda9a", | ||
| 1327 | "last_modified": null, | 1327 | "last_modified": null, | ||
| 1328 | "metadata_modified": "2023-01-31T07:03:09.228838", | 1328 | "metadata_modified": "2023-01-31T07:03:09.228838", | ||
| 1329 | "mimetype": null, | 1329 | "mimetype": null, | ||
| 1330 | "mimetype_inner": null, | 1330 | "mimetype_inner": null, | ||
| 1331 | "name": | 1331 | "name": | ||
| 1332 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00006.edr", | 1332 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00006.edr", | ||
| 1333 | "owner_org": "mduq", | 1333 | "owner_org": "mduq", | ||
| 1334 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1334 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1335 | "position": 51, | 1335 | "position": 51, | ||
| 1336 | "resource_type": "energy", | 1336 | "resource_type": "energy", | ||
| 1337 | "run": 6, | 1337 | "run": 6, | ||
| 1338 | "size": 249280, | 1338 | "size": 249280, | ||
| 1339 | "state": "active", | 1339 | "state": "active", | ||
| 1340 | "url": | 1340 | "url": | ||
| 1341 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00006.edr", | 1341 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00006.edr", | ||
| 1342 | "url_type": null | 1342 | "url_type": null | ||
| 1343 | }, | 1343 | }, | ||
| 1344 | { | 1344 | { | ||
| 1345 | "cache_last_updated": null, | 1345 | "cache_last_updated": null, | ||
| 1346 | "cache_url": null, | 1346 | "cache_url": null, | ||
| 1347 | "created": "2023-01-31T07:03:09.269935", | 1347 | "created": "2023-01-31T07:03:09.269935", | ||
| 1348 | "description": null, | 1348 | "description": null, | ||
| 1349 | "format": "top", | 1349 | "format": "top", | ||
| 1350 | "hash": "", | 1350 | "hash": "", | ||
| 1351 | "id": "205a5250-783f-4da0-851d-34425aa84365", | 1351 | "id": "205a5250-783f-4da0-851d-34425aa84365", | ||
| 1352 | "last_modified": null, | 1352 | "last_modified": null, | ||
| 1353 | "metadata_modified": "2023-01-31T07:03:09.229050", | 1353 | "metadata_modified": "2023-01-31T07:03:09.229050", | ||
| 1354 | "mimetype": null, | 1354 | "mimetype": null, | ||
| 1355 | "mimetype_inner": null, | 1355 | "mimetype_inner": null, | ||
| 1356 | "name": | 1356 | "name": | ||
| 1357 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00006.top", | 1357 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00006.top", | ||
| 1358 | "owner_org": "mduq", | 1358 | "owner_org": "mduq", | ||
| 1359 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1359 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1360 | "position": 52, | 1360 | "position": 52, | ||
| 1361 | "resource_type": "topology", | 1361 | "resource_type": "topology", | ||
| 1362 | "run": 6, | 1362 | "run": 6, | ||
| 1363 | "size": 3412, | 1363 | "size": 3412, | ||
| 1364 | "state": "active", | 1364 | "state": "active", | ||
| 1365 | "url": | 1365 | "url": | ||
| 1366 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00006.top", | 1366 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00006.top", | ||
| 1367 | "url_type": null | 1367 | "url_type": null | ||
| 1368 | }, | 1368 | }, | ||
| 1369 | { | 1369 | { | ||
| 1370 | "cache_last_updated": null, | 1370 | "cache_last_updated": null, | ||
| 1371 | "cache_url": null, | 1371 | "cache_url": null, | ||
| 1372 | "created": "2023-01-31T07:03:09.269937", | 1372 | "created": "2023-01-31T07:03:09.269937", | ||
| 1373 | "description": null, | 1373 | "description": null, | ||
| 1374 | "format": "gro", | 1374 | "format": "gro", | ||
| 1375 | "hash": "", | 1375 | "hash": "", | ||
| 1376 | "id": "60f6053c-9b00-433a-b9e3-c004bbcfaf1d", | 1376 | "id": "60f6053c-9b00-433a-b9e3-c004bbcfaf1d", | ||
| 1377 | "last_modified": null, | 1377 | "last_modified": null, | ||
| 1378 | "metadata_modified": "2023-01-31T07:03:09.229156", | 1378 | "metadata_modified": "2023-01-31T07:03:09.229156", | ||
| 1379 | "mimetype": null, | 1379 | "mimetype": null, | ||
| 1380 | "mimetype_inner": null, | 1380 | "mimetype_inner": null, | ||
| 1381 | "name": | 1381 | "name": | ||
| 1382 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00006.gro", | 1382 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00006.gro", | ||
| 1383 | "owner_org": "mduq", | 1383 | "owner_org": "mduq", | ||
| 1384 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1384 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1385 | "position": 53, | 1385 | "position": 53, | ||
| 1386 | "resource_type": "final-coordinates", | 1386 | "resource_type": "final-coordinates", | ||
| 1387 | "run": 6, | 1387 | "run": 6, | ||
| 1388 | "size": 21910443, | 1388 | "size": 21910443, | ||
| 1389 | "state": "active", | 1389 | "state": "active", | ||
| 1390 | "url": | 1390 | "url": | ||
| 1391 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00006.gro", | 1391 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00006.gro", | ||
| 1392 | "url_type": null | 1392 | "url_type": null | ||
| 1393 | }, | 1393 | }, | ||
| 1394 | { | 1394 | { | ||
| 1395 | "cache_last_updated": null, | 1395 | "cache_last_updated": null, | ||
| 1396 | "cache_url": null, | 1396 | "cache_url": null, | ||
| 1397 | "created": "2023-01-31T07:03:09.269938", | 1397 | "created": "2023-01-31T07:03:09.269938", | ||
| 1398 | "description": null, | 1398 | "description": null, | ||
| 1399 | "format": "gro", | 1399 | "format": "gro", | ||
| 1400 | "hash": "", | 1400 | "hash": "", | ||
| 1401 | "id": "a27cff16-2061-4c61-b66e-365a4d478222", | 1401 | "id": "a27cff16-2061-4c61-b66e-365a4d478222", | ||
| 1402 | "last_modified": null, | 1402 | "last_modified": null, | ||
| 1403 | "metadata_modified": "2023-01-31T07:03:09.229272", | 1403 | "metadata_modified": "2023-01-31T07:03:09.229272", | ||
| 1404 | "mimetype": null, | 1404 | "mimetype": null, | ||
| 1405 | "mimetype_inner": null, | 1405 | "mimetype_inner": null, | ||
| 1406 | "name": | 1406 | "name": | ||
| 1407 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00006.gro", | 1407 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00006.gro", | ||
| 1408 | "owner_org": "mduq", | 1408 | "owner_org": "mduq", | ||
| 1409 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1409 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1410 | "position": 54, | 1410 | "position": 54, | ||
| 1411 | "resource_type": "restraints", | 1411 | "resource_type": "restraints", | ||
| 1412 | "run": 6, | 1412 | "run": 6, | ||
| 1413 | "size": 21910461, | 1413 | "size": 21910461, | ||
| 1414 | "state": "active", | 1414 | "state": "active", | ||
| 1415 | "url": | 1415 | "url": | ||
| 1416 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00006.gro", | 1416 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00006.gro", | ||
| 1417 | "url_type": null | 1417 | "url_type": null | ||
| 1418 | }, | 1418 | }, | ||
| 1419 | { | 1419 | { | ||
| 1420 | "cache_last_updated": null, | 1420 | "cache_last_updated": null, | ||
| 1421 | "cache_url": null, | 1421 | "cache_url": null, | ||
| 1422 | "created": "2023-01-31T07:03:09.269939", | 1422 | "created": "2023-01-31T07:03:09.269939", | ||
| 1423 | "description": null, | 1423 | "description": null, | ||
| 1424 | "format": "mdp", | 1424 | "format": "mdp", | ||
| 1425 | "hash": "", | 1425 | "hash": "", | ||
| 1426 | "id": "d5096df0-d7d2-49af-bb27-df078082e44a", | 1426 | "id": "d5096df0-d7d2-49af-bb27-df078082e44a", | ||
| 1427 | "last_modified": null, | 1427 | "last_modified": null, | ||
| 1428 | "metadata_modified": "2023-01-31T07:03:09.229380", | 1428 | "metadata_modified": "2023-01-31T07:03:09.229380", | ||
| 1429 | "mimetype": null, | 1429 | "mimetype": null, | ||
| 1430 | "mimetype_inner": null, | 1430 | "mimetype_inner": null, | ||
| 1431 | "name": | 1431 | "name": | ||
| 1432 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00007.mdp", | 1432 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00007.mdp", | ||
| 1433 | "owner_org": "mduq", | 1433 | "owner_org": "mduq", | ||
| 1434 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1434 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1435 | "position": 55, | 1435 | "position": 55, | ||
| 1436 | "resource_type": "control", | 1436 | "resource_type": "control", | ||
| 1437 | "run": 7, | 1437 | "run": 7, | ||
| 1438 | "size": 1727, | 1438 | "size": 1727, | ||
| 1439 | "state": "active", | 1439 | "state": "active", | ||
| 1440 | "url": | 1440 | "url": | ||
| 1441 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00007.mdp", | 1441 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00007.mdp", | ||
| 1442 | "url_type": null | 1442 | "url_type": null | ||
| 1443 | }, | 1443 | }, | ||
| 1444 | { | 1444 | { | ||
| 1445 | "cache_last_updated": null, | 1445 | "cache_last_updated": null, | ||
| 1446 | "cache_url": null, | 1446 | "cache_url": null, | ||
| 1447 | "created": "2023-01-31T07:03:09.269944", | 1447 | "created": "2023-01-31T07:03:09.269944", | ||
| 1448 | "description": null, | 1448 | "description": null, | ||
| 1449 | "format": "tpr", | 1449 | "format": "tpr", | ||
| 1450 | "hash": "", | 1450 | "hash": "", | ||
| 1451 | "id": "c5fd222b-a572-4f58-b9c6-59d9d3eb55a8", | 1451 | "id": "c5fd222b-a572-4f58-b9c6-59d9d3eb55a8", | ||
| 1452 | "last_modified": null, | 1452 | "last_modified": null, | ||
| 1453 | "metadata_modified": "2023-02-02T05:01:10.053784", | 1453 | "metadata_modified": "2023-02-02T05:01:10.053784", | ||
| 1454 | "mimetype": null, | 1454 | "mimetype": null, | ||
| 1455 | "mimetype_inner": null, | 1455 | "mimetype_inner": null, | ||
| 1456 | "name": | 1456 | "name": | ||
| 1457 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00007.tpr", | 1457 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00007.tpr", | ||
| 1458 | "owner_org": "mduq", | 1458 | "owner_org": "mduq", | ||
| 1459 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1459 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1460 | "position": 56, | 1460 | "position": 56, | ||
| 1461 | "resource_type": "forcefield-files", | 1461 | "resource_type": "forcefield-files", | ||
| 1462 | "run": 7, | 1462 | "run": 7, | ||
| 1463 | "size": 13815728, | 1463 | "size": 13815728, | ||
| 1464 | "state": "active", | 1464 | "state": "active", | ||
| 1465 | "url": | 1465 | "url": | ||
| 1466 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00007.tpr", | 1466 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00007.tpr", | ||
| 1467 | "url_type": null | 1467 | "url_type": null | ||
| 1468 | }, | 1468 | }, | ||
| 1469 | { | 1469 | { | ||
| 1470 | "cache_last_updated": null, | 1470 | "cache_last_updated": null, | ||
| 1471 | "cache_url": null, | 1471 | "cache_url": null, | ||
| 1472 | "created": "2023-01-31T07:03:09.269940", | 1472 | "created": "2023-01-31T07:03:09.269940", | ||
| 1473 | "description": null, | 1473 | "description": null, | ||
| 1474 | "format": "gro", | 1474 | "format": "gro", | ||
| 1475 | "hash": "", | 1475 | "hash": "", | ||
| 1476 | "id": "40c3dd97-0754-432f-b019-bf7db3dd44e1", | 1476 | "id": "40c3dd97-0754-432f-b019-bf7db3dd44e1", | ||
| 1477 | "last_modified": null, | 1477 | "last_modified": null, | ||
| 1478 | "metadata_modified": "2023-01-31T07:03:09.229487", | 1478 | "metadata_modified": "2023-01-31T07:03:09.229487", | ||
| 1479 | "mimetype": null, | 1479 | "mimetype": null, | ||
| 1480 | "mimetype_inner": null, | 1480 | "mimetype_inner": null, | ||
| 1481 | "name": | 1481 | "name": | ||
| 1482 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00007.gro", | 1482 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00007.gro", | ||
| 1483 | "owner_org": "mduq", | 1483 | "owner_org": "mduq", | ||
| 1484 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1484 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1485 | "position": 57, | 1485 | "position": 57, | ||
| 1486 | "resource_type": "input-coordinates", | 1486 | "resource_type": "input-coordinates", | ||
| 1487 | "run": 7, | 1487 | "run": 7, | ||
| 1488 | "size": 21074420, | 1488 | "size": 21074420, | ||
| 1489 | "state": "active", | 1489 | "state": "active", | ||
| 1490 | "url": | 1490 | "url": | ||
| 1491 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00007.gro", | 1491 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00007.gro", | ||
| 1492 | "url_type": null | 1492 | "url_type": null | ||
| 1493 | }, | 1493 | }, | ||
| 1494 | { | 1494 | { | ||
| 1495 | "cache_last_updated": null, | 1495 | "cache_last_updated": null, | ||
| 1496 | "cache_url": null, | 1496 | "cache_url": null, | ||
| 1497 | "created": "2023-01-31T07:03:09.269942", | 1497 | "created": "2023-01-31T07:03:09.269942", | ||
| 1498 | "description": null, | 1498 | "description": null, | ||
| 1499 | "format": "log", | 1499 | "format": "log", | ||
| 1500 | "hash": "", | 1500 | "hash": "", | ||
| 1501 | "id": "eae4c1e7-a7f7-43b3-8a07-10ab50ccee68", | 1501 | "id": "eae4c1e7-a7f7-43b3-8a07-10ab50ccee68", | ||
| 1502 | "last_modified": null, | 1502 | "last_modified": null, | ||
| 1503 | "metadata_modified": "2023-01-31T07:03:09.229593", | 1503 | "metadata_modified": "2023-01-31T07:03:09.229593", | ||
| 1504 | "mimetype": null, | 1504 | "mimetype": null, | ||
| 1505 | "mimetype_inner": null, | 1505 | "mimetype_inner": null, | ||
| 1506 | "name": | 1506 | "name": | ||
| 1507 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00007.log", | 1507 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00007.log", | ||
| 1508 | "owner_org": "mduq", | 1508 | "owner_org": "mduq", | ||
| 1509 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1509 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1510 | "position": 58, | 1510 | "position": 58, | ||
| 1511 | "resource_type": "log", | 1511 | "resource_type": "log", | ||
| 1512 | "run": 7, | 1512 | "run": 7, | ||
| 1513 | "size": 32798, | 1513 | "size": 32798, | ||
| 1514 | "state": "active", | 1514 | "state": "active", | ||
| 1515 | "url": | 1515 | "url": | ||
| 1516 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00007.log", | 1516 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00007.log", | ||
| 1517 | "url_type": null | 1517 | "url_type": null | ||
| 1518 | }, | 1518 | }, | ||
| 1519 | { | 1519 | { | ||
| 1520 | "cache_last_updated": null, | 1520 | "cache_last_updated": null, | ||
| 1521 | "cache_url": null, | 1521 | "cache_url": null, | ||
| 1522 | "created": "2023-01-31T07:03:09.269943", | 1522 | "created": "2023-01-31T07:03:09.269943", | ||
| 1523 | "description": null, | 1523 | "description": null, | ||
| 1524 | "format": "edr", | 1524 | "format": "edr", | ||
| 1525 | "hash": "", | 1525 | "hash": "", | ||
| 1526 | "id": "e4895667-0b6f-4eff-b914-221bf8ddca6a", | 1526 | "id": "e4895667-0b6f-4eff-b914-221bf8ddca6a", | ||
| 1527 | "last_modified": null, | 1527 | "last_modified": null, | ||
| 1528 | "metadata_modified": "2023-01-31T07:03:09.229699", | 1528 | "metadata_modified": "2023-01-31T07:03:09.229699", | ||
| 1529 | "mimetype": null, | 1529 | "mimetype": null, | ||
| 1530 | "mimetype_inner": null, | 1530 | "mimetype_inner": null, | ||
| 1531 | "name": | 1531 | "name": | ||
| 1532 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00007.edr", | 1532 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00007.edr", | ||
| 1533 | "owner_org": "mduq", | 1533 | "owner_org": "mduq", | ||
| 1534 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1534 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1535 | "position": 59, | 1535 | "position": 59, | ||
| 1536 | "resource_type": "energy", | 1536 | "resource_type": "energy", | ||
| 1537 | "run": 7, | 1537 | "run": 7, | ||
| 1538 | "size": 249280, | 1538 | "size": 249280, | ||
| 1539 | "state": "active", | 1539 | "state": "active", | ||
| 1540 | "url": | 1540 | "url": | ||
| 1541 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00007.edr", | 1541 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00007.edr", | ||
| 1542 | "url_type": null | 1542 | "url_type": null | ||
| 1543 | }, | 1543 | }, | ||
| 1544 | { | 1544 | { | ||
| 1545 | "cache_last_updated": null, | 1545 | "cache_last_updated": null, | ||
| 1546 | "cache_url": null, | 1546 | "cache_url": null, | ||
| 1547 | "created": "2023-01-31T07:03:09.269945", | 1547 | "created": "2023-01-31T07:03:09.269945", | ||
| 1548 | "description": null, | 1548 | "description": null, | ||
| 1549 | "format": "top", | 1549 | "format": "top", | ||
| 1550 | "hash": "", | 1550 | "hash": "", | ||
| 1551 | "id": "9636cfd0-9bd4-4dfc-aa26-6f23f394d604", | 1551 | "id": "9636cfd0-9bd4-4dfc-aa26-6f23f394d604", | ||
| 1552 | "last_modified": null, | 1552 | "last_modified": null, | ||
| 1553 | "metadata_modified": "2023-01-31T07:03:09.229909", | 1553 | "metadata_modified": "2023-01-31T07:03:09.229909", | ||
| 1554 | "mimetype": null, | 1554 | "mimetype": null, | ||
| 1555 | "mimetype_inner": null, | 1555 | "mimetype_inner": null, | ||
| 1556 | "name": | 1556 | "name": | ||
| 1557 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00007.top", | 1557 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00007.top", | ||
| 1558 | "owner_org": "mduq", | 1558 | "owner_org": "mduq", | ||
| 1559 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1559 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1560 | "position": 60, | 1560 | "position": 60, | ||
| 1561 | "resource_type": "topology", | 1561 | "resource_type": "topology", | ||
| 1562 | "run": 7, | 1562 | "run": 7, | ||
| 1563 | "size": 3412, | 1563 | "size": 3412, | ||
| 1564 | "state": "active", | 1564 | "state": "active", | ||
| 1565 | "url": | 1565 | "url": | ||
| 1566 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00007.top", | 1566 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00007.top", | ||
| 1567 | "url_type": null | 1567 | "url_type": null | ||
| 1568 | }, | 1568 | }, | ||
| 1569 | { | 1569 | { | ||
| 1570 | "cache_last_updated": null, | 1570 | "cache_last_updated": null, | ||
| 1571 | "cache_url": null, | 1571 | "cache_url": null, | ||
| 1572 | "created": "2023-01-31T07:03:09.269947", | 1572 | "created": "2023-01-31T07:03:09.269947", | ||
| 1573 | "description": null, | 1573 | "description": null, | ||
| 1574 | "format": "gro", | 1574 | "format": "gro", | ||
| 1575 | "hash": "", | 1575 | "hash": "", | ||
| 1576 | "id": "7bca2c86-f698-4dc1-a262-f46258c06a1e", | 1576 | "id": "7bca2c86-f698-4dc1-a262-f46258c06a1e", | ||
| 1577 | "last_modified": null, | 1577 | "last_modified": null, | ||
| 1578 | "metadata_modified": "2023-01-31T07:03:09.230015", | 1578 | "metadata_modified": "2023-01-31T07:03:09.230015", | ||
| 1579 | "mimetype": null, | 1579 | "mimetype": null, | ||
| 1580 | "mimetype_inner": null, | 1580 | "mimetype_inner": null, | ||
| 1581 | "name": | 1581 | "name": | ||
| 1582 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00007.gro", | 1582 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00007.gro", | ||
| 1583 | "owner_org": "mduq", | 1583 | "owner_org": "mduq", | ||
| 1584 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1584 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1585 | "position": 61, | 1585 | "position": 61, | ||
| 1586 | "resource_type": "final-coordinates", | 1586 | "resource_type": "final-coordinates", | ||
| 1587 | "run": 7, | 1587 | "run": 7, | ||
| 1588 | "size": 21074401, | 1588 | "size": 21074401, | ||
| 1589 | "state": "active", | 1589 | "state": "active", | ||
| 1590 | "url": | 1590 | "url": | ||
| 1591 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00007.gro", | 1591 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00007.gro", | ||
| 1592 | "url_type": null | 1592 | "url_type": null | ||
| 1593 | }, | 1593 | }, | ||
| 1594 | { | 1594 | { | ||
| 1595 | "cache_last_updated": null, | 1595 | "cache_last_updated": null, | ||
| 1596 | "cache_url": null, | 1596 | "cache_url": null, | ||
| 1597 | "created": "2023-01-31T07:03:09.269948", | 1597 | "created": "2023-01-31T07:03:09.269948", | ||
| 1598 | "description": null, | 1598 | "description": null, | ||
| 1599 | "format": "gro", | 1599 | "format": "gro", | ||
| 1600 | "hash": "", | 1600 | "hash": "", | ||
| 1601 | "id": "c62d8ec2-e0e1-4305-ae57-dc4e0d1ae47e", | 1601 | "id": "c62d8ec2-e0e1-4305-ae57-dc4e0d1ae47e", | ||
| 1602 | "last_modified": null, | 1602 | "last_modified": null, | ||
| 1603 | "metadata_modified": "2023-01-31T07:03:09.230121", | 1603 | "metadata_modified": "2023-01-31T07:03:09.230121", | ||
| 1604 | "mimetype": null, | 1604 | "mimetype": null, | ||
| 1605 | "mimetype_inner": null, | 1605 | "mimetype_inner": null, | ||
| 1606 | "name": | 1606 | "name": | ||
| 1607 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00007.gro", | 1607 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00007.gro", | ||
| 1608 | "owner_org": "mduq", | 1608 | "owner_org": "mduq", | ||
| 1609 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1609 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1610 | "position": 62, | 1610 | "position": 62, | ||
| 1611 | "resource_type": "restraints", | 1611 | "resource_type": "restraints", | ||
| 1612 | "run": 7, | 1612 | "run": 7, | ||
| 1613 | "size": 21384336, | 1613 | "size": 21384336, | ||
| 1614 | "state": "active", | 1614 | "state": "active", | ||
| 1615 | "url": | 1615 | "url": | ||
| 1616 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00007.gro", | 1616 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00007.gro", | ||
| 1617 | "url_type": null | 1617 | "url_type": null | ||
| 1618 | }, | 1618 | }, | ||
| 1619 | { | 1619 | { | ||
| 1620 | "cache_last_updated": null, | 1620 | "cache_last_updated": null, | ||
| 1621 | "cache_url": null, | 1621 | "cache_url": null, | ||
| 1622 | "created": "2023-01-31T07:03:09.269949", | 1622 | "created": "2023-01-31T07:03:09.269949", | ||
| 1623 | "description": null, | 1623 | "description": null, | ||
| 1624 | "format": "mdp", | 1624 | "format": "mdp", | ||
| 1625 | "hash": "", | 1625 | "hash": "", | ||
| 1626 | "id": "dfb6b022-be37-4c32-925e-69b3963cfbfa", | 1626 | "id": "dfb6b022-be37-4c32-925e-69b3963cfbfa", | ||
| 1627 | "last_modified": null, | 1627 | "last_modified": null, | ||
| 1628 | "metadata_modified": "2023-01-31T07:03:09.230559", | 1628 | "metadata_modified": "2023-01-31T07:03:09.230559", | ||
| 1629 | "mimetype": null, | 1629 | "mimetype": null, | ||
| 1630 | "mimetype_inner": null, | 1630 | "mimetype_inner": null, | ||
| 1631 | "name": | 1631 | "name": | ||
| 1632 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00008.mdp", | 1632 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00008.mdp", | ||
| 1633 | "owner_org": "mduq", | 1633 | "owner_org": "mduq", | ||
| 1634 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1634 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1635 | "position": 63, | 1635 | "position": 63, | ||
| 1636 | "resource_type": "control", | 1636 | "resource_type": "control", | ||
| 1637 | "run": 8, | 1637 | "run": 8, | ||
| 1638 | "size": 1727, | 1638 | "size": 1727, | ||
| 1639 | "state": "active", | 1639 | "state": "active", | ||
| 1640 | "url": | 1640 | "url": | ||
| 1641 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00008.mdp", | 1641 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00008.mdp", | ||
| 1642 | "url_type": null | 1642 | "url_type": null | ||
| 1643 | }, | 1643 | }, | ||
| 1644 | { | 1644 | { | ||
| 1645 | "cache_last_updated": null, | 1645 | "cache_last_updated": null, | ||
| 1646 | "cache_url": null, | 1646 | "cache_url": null, | ||
| 1647 | "created": "2023-01-31T07:03:09.269954", | 1647 | "created": "2023-01-31T07:03:09.269954", | ||
| 1648 | "description": null, | 1648 | "description": null, | ||
| 1649 | "format": "tpr", | 1649 | "format": "tpr", | ||
| 1650 | "hash": "", | 1650 | "hash": "", | ||
| 1651 | "id": "24ab114a-0811-493b-8102-bef572052145", | 1651 | "id": "24ab114a-0811-493b-8102-bef572052145", | ||
| 1652 | "last_modified": null, | 1652 | "last_modified": null, | ||
| 1653 | "metadata_modified": "2023-02-02T05:01:10.054373", | 1653 | "metadata_modified": "2023-02-02T05:01:10.054373", | ||
| 1654 | "mimetype": null, | 1654 | "mimetype": null, | ||
| 1655 | "mimetype_inner": null, | 1655 | "mimetype_inner": null, | ||
| 1656 | "name": | 1656 | "name": | ||
| 1657 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00008.tpr", | 1657 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00008.tpr", | ||
| 1658 | "owner_org": "mduq", | 1658 | "owner_org": "mduq", | ||
| 1659 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1659 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1660 | "position": 64, | 1660 | "position": 64, | ||
| 1661 | "resource_type": "forcefield-files", | 1661 | "resource_type": "forcefield-files", | ||
| 1662 | "run": 8, | 1662 | "run": 8, | ||
| 1663 | "size": 13365068, | 1663 | "size": 13365068, | ||
| 1664 | "state": "active", | 1664 | "state": "active", | ||
| 1665 | "url": | 1665 | "url": | ||
| 1666 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00008.tpr", | 1666 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00008.tpr", | ||
| 1667 | "url_type": null | 1667 | "url_type": null | ||
| 1668 | }, | 1668 | }, | ||
| 1669 | { | 1669 | { | ||
| 1670 | "cache_last_updated": null, | 1670 | "cache_last_updated": null, | ||
| 1671 | "cache_url": null, | 1671 | "cache_url": null, | ||
| 1672 | "created": "2023-01-31T07:03:09.269950", | 1672 | "created": "2023-01-31T07:03:09.269950", | ||
| 1673 | "description": null, | 1673 | "description": null, | ||
| 1674 | "format": "gro", | 1674 | "format": "gro", | ||
| 1675 | "hash": "", | 1675 | "hash": "", | ||
| 1676 | "id": "043415a5-ce52-458a-8d04-15be15415a44", | 1676 | "id": "043415a5-ce52-458a-8d04-15be15415a44", | ||
| 1677 | "last_modified": null, | 1677 | "last_modified": null, | ||
| 1678 | "metadata_modified": "2023-01-31T07:03:09.230706", | 1678 | "metadata_modified": "2023-01-31T07:03:09.230706", | ||
| 1679 | "mimetype": null, | 1679 | "mimetype": null, | ||
| 1680 | "mimetype_inner": null, | 1680 | "mimetype_inner": null, | ||
| 1681 | "name": | 1681 | "name": | ||
| 1682 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00008.gro", | 1682 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00008.gro", | ||
| 1683 | "owner_org": "mduq", | 1683 | "owner_org": "mduq", | ||
| 1684 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1684 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1685 | "position": 65, | 1685 | "position": 65, | ||
| 1686 | "resource_type": "input-coordinates", | 1686 | "resource_type": "input-coordinates", | ||
| 1687 | "run": 8, | 1687 | "run": 8, | ||
| 1688 | "size": 20273782, | 1688 | "size": 20273782, | ||
| 1689 | "state": "active", | 1689 | "state": "active", | ||
| 1690 | "url": | 1690 | "url": | ||
| 1691 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00008.gro", | 1691 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00008.gro", | ||
| 1692 | "url_type": null | 1692 | "url_type": null | ||
| 1693 | }, | 1693 | }, | ||
| 1694 | { | 1694 | { | ||
| 1695 | "cache_last_updated": null, | 1695 | "cache_last_updated": null, | ||
| 1696 | "cache_url": null, | 1696 | "cache_url": null, | ||
| 1697 | "created": "2023-01-31T07:03:09.269952", | 1697 | "created": "2023-01-31T07:03:09.269952", | ||
| 1698 | "description": null, | 1698 | "description": null, | ||
| 1699 | "format": "log", | 1699 | "format": "log", | ||
| 1700 | "hash": "", | 1700 | "hash": "", | ||
| 1701 | "id": "caa17248-1221-4679-8f71-fd94cf1ab713", | 1701 | "id": "caa17248-1221-4679-8f71-fd94cf1ab713", | ||
| 1702 | "last_modified": null, | 1702 | "last_modified": null, | ||
| 1703 | "metadata_modified": "2023-01-31T07:03:09.230823", | 1703 | "metadata_modified": "2023-01-31T07:03:09.230823", | ||
| 1704 | "mimetype": null, | 1704 | "mimetype": null, | ||
| 1705 | "mimetype_inner": null, | 1705 | "mimetype_inner": null, | ||
| 1706 | "name": | 1706 | "name": | ||
| 1707 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00008.log", | 1707 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00008.log", | ||
| 1708 | "owner_org": "mduq", | 1708 | "owner_org": "mduq", | ||
| 1709 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1709 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1710 | "position": 66, | 1710 | "position": 66, | ||
| 1711 | "resource_type": "log", | 1711 | "resource_type": "log", | ||
| 1712 | "run": 8, | 1712 | "run": 8, | ||
| 1713 | "size": 36685, | 1713 | "size": 36685, | ||
| 1714 | "state": "active", | 1714 | "state": "active", | ||
| 1715 | "url": | 1715 | "url": | ||
| 1716 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00008.log", | 1716 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00008.log", | ||
| 1717 | "url_type": null | 1717 | "url_type": null | ||
| 1718 | }, | 1718 | }, | ||
| 1719 | { | 1719 | { | ||
| 1720 | "cache_last_updated": null, | 1720 | "cache_last_updated": null, | ||
| 1721 | "cache_url": null, | 1721 | "cache_url": null, | ||
| 1722 | "created": "2023-01-31T07:03:09.269953", | 1722 | "created": "2023-01-31T07:03:09.269953", | ||
| 1723 | "description": null, | 1723 | "description": null, | ||
| 1724 | "format": "edr", | 1724 | "format": "edr", | ||
| 1725 | "hash": "", | 1725 | "hash": "", | ||
| 1726 | "id": "9b73ad88-2432-4414-9d65-eafbeff31cd2", | 1726 | "id": "9b73ad88-2432-4414-9d65-eafbeff31cd2", | ||
| 1727 | "last_modified": null, | 1727 | "last_modified": null, | ||
| 1728 | "metadata_modified": "2023-01-31T07:03:09.230936", | 1728 | "metadata_modified": "2023-01-31T07:03:09.230936", | ||
| 1729 | "mimetype": null, | 1729 | "mimetype": null, | ||
| 1730 | "mimetype_inner": null, | 1730 | "mimetype_inner": null, | ||
| 1731 | "name": | 1731 | "name": | ||
| 1732 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00008.edr", | 1732 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00008.edr", | ||
| 1733 | "owner_org": "mduq", | 1733 | "owner_org": "mduq", | ||
| 1734 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1734 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1735 | "position": 67, | 1735 | "position": 67, | ||
| 1736 | "resource_type": "energy", | 1736 | "resource_type": "energy", | ||
| 1737 | "run": 8, | 1737 | "run": 8, | ||
| 1738 | "size": 497280, | 1738 | "size": 497280, | ||
| 1739 | "state": "active", | 1739 | "state": "active", | ||
| 1740 | "url": | 1740 | "url": | ||
| 1741 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00008.edr", | 1741 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00008.edr", | ||
| 1742 | "url_type": null | 1742 | "url_type": null | ||
| 1743 | }, | 1743 | }, | ||
| 1744 | { | 1744 | { | ||
| 1745 | "cache_last_updated": null, | 1745 | "cache_last_updated": null, | ||
| 1746 | "cache_url": null, | 1746 | "cache_url": null, | ||
| 1747 | "created": "2023-01-31T07:03:09.269955", | 1747 | "created": "2023-01-31T07:03:09.269955", | ||
| 1748 | "description": null, | 1748 | "description": null, | ||
| 1749 | "format": "top", | 1749 | "format": "top", | ||
| 1750 | "hash": "", | 1750 | "hash": "", | ||
| 1751 | "id": "bc32ca21-aa3c-4151-bd98-08093e4455fb", | 1751 | "id": "bc32ca21-aa3c-4151-bd98-08093e4455fb", | ||
| 1752 | "last_modified": null, | 1752 | "last_modified": null, | ||
| 1753 | "metadata_modified": "2023-01-31T07:03:09.231158", | 1753 | "metadata_modified": "2023-01-31T07:03:09.231158", | ||
| 1754 | "mimetype": null, | 1754 | "mimetype": null, | ||
| 1755 | "mimetype_inner": null, | 1755 | "mimetype_inner": null, | ||
| 1756 | "name": | 1756 | "name": | ||
| 1757 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00008.top", | 1757 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00008.top", | ||
| 1758 | "owner_org": "mduq", | 1758 | "owner_org": "mduq", | ||
| 1759 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1759 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1760 | "position": 68, | 1760 | "position": 68, | ||
| 1761 | "resource_type": "topology", | 1761 | "resource_type": "topology", | ||
| 1762 | "run": 8, | 1762 | "run": 8, | ||
| 1763 | "size": 3413, | 1763 | "size": 3413, | ||
| 1764 | "state": "active", | 1764 | "state": "active", | ||
| 1765 | "url": | 1765 | "url": | ||
| 1766 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00008.top", | 1766 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00008.top", | ||
| 1767 | "url_type": null | 1767 | "url_type": null | ||
| 1768 | }, | 1768 | }, | ||
| 1769 | { | 1769 | { | ||
| 1770 | "cache_last_updated": null, | 1770 | "cache_last_updated": null, | ||
| 1771 | "cache_url": null, | 1771 | "cache_url": null, | ||
| 1772 | "created": "2023-01-31T07:03:09.269957", | 1772 | "created": "2023-01-31T07:03:09.269957", | ||
| 1773 | "description": null, | 1773 | "description": null, | ||
| 1774 | "format": "gro", | 1774 | "format": "gro", | ||
| 1775 | "hash": "", | 1775 | "hash": "", | ||
| 1776 | "id": "86518921-9e57-42be-b3e4-88b8184dcfea", | 1776 | "id": "86518921-9e57-42be-b3e4-88b8184dcfea", | ||
| 1777 | "last_modified": null, | 1777 | "last_modified": null, | ||
| 1778 | "metadata_modified": "2023-01-31T07:03:09.231268", | 1778 | "metadata_modified": "2023-01-31T07:03:09.231268", | ||
| 1779 | "mimetype": null, | 1779 | "mimetype": null, | ||
| 1780 | "mimetype_inner": null, | 1780 | "mimetype_inner": null, | ||
| 1781 | "name": | 1781 | "name": | ||
| 1782 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00008.gro", | 1782 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00008.gro", | ||
| 1783 | "owner_org": "mduq", | 1783 | "owner_org": "mduq", | ||
| 1784 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1784 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1785 | "position": 69, | 1785 | "position": 69, | ||
| 1786 | "resource_type": "final-coordinates", | 1786 | "resource_type": "final-coordinates", | ||
| 1787 | "run": 8, | 1787 | "run": 8, | ||
| 1788 | "size": 20273763, | 1788 | "size": 20273763, | ||
| 1789 | "state": "active", | 1789 | "state": "active", | ||
| 1790 | "url": | 1790 | "url": | ||
| 1791 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00008.gro", | 1791 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00008.gro", | ||
| 1792 | "url_type": null | 1792 | "url_type": null | ||
| 1793 | }, | 1793 | }, | ||
| 1794 | { | 1794 | { | ||
| 1795 | "cache_last_updated": null, | 1795 | "cache_last_updated": null, | ||
| 1796 | "cache_url": null, | 1796 | "cache_url": null, | ||
| 1797 | "created": "2023-01-31T07:03:09.269958", | 1797 | "created": "2023-01-31T07:03:09.269958", | ||
| 1798 | "description": null, | 1798 | "description": null, | ||
| 1799 | "format": "gro", | 1799 | "format": "gro", | ||
| 1800 | "hash": "", | 1800 | "hash": "", | ||
| 1801 | "id": "b0079183-e183-4d0a-b07c-05cbf3f33181", | 1801 | "id": "b0079183-e183-4d0a-b07c-05cbf3f33181", | ||
| 1802 | "last_modified": null, | 1802 | "last_modified": null, | ||
| 1803 | "metadata_modified": "2023-01-31T07:03:09.231378", | 1803 | "metadata_modified": "2023-01-31T07:03:09.231378", | ||
| 1804 | "mimetype": null, | 1804 | "mimetype": null, | ||
| 1805 | "mimetype_inner": null, | 1805 | "mimetype_inner": null, | ||
| 1806 | "name": | 1806 | "name": | ||
| 1807 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00008.gro", | 1807 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00008.gro", | ||
| 1808 | "owner_org": "mduq", | 1808 | "owner_org": "mduq", | ||
| 1809 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1809 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1810 | "position": 70, | 1810 | "position": 70, | ||
| 1811 | "resource_type": "restraints", | 1811 | "resource_type": "restraints", | ||
| 1812 | "run": 8, | 1812 | "run": 8, | ||
| 1813 | "size": 20273781, | 1813 | "size": 20273781, | ||
| 1814 | "state": "active", | 1814 | "state": "active", | ||
| 1815 | "url": | 1815 | "url": | ||
| 1816 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00008.gro", | 1816 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00008.gro", | ||
| 1817 | "url_type": null | 1817 | "url_type": null | ||
| 1818 | }, | 1818 | }, | ||
| 1819 | { | 1819 | { | ||
| 1820 | "cache_last_updated": null, | 1820 | "cache_last_updated": null, | ||
| 1821 | "cache_url": null, | 1821 | "cache_url": null, | ||
| 1822 | "created": "2023-01-31T07:03:09.269959", | 1822 | "created": "2023-01-31T07:03:09.269959", | ||
| 1823 | "description": null, | 1823 | "description": null, | ||
| 1824 | "format": "mdp", | 1824 | "format": "mdp", | ||
| 1825 | "hash": "", | 1825 | "hash": "", | ||
| 1826 | "id": "4248e914-0486-40e0-8e67-3d6c270e9db4", | 1826 | "id": "4248e914-0486-40e0-8e67-3d6c270e9db4", | ||
| 1827 | "last_modified": null, | 1827 | "last_modified": null, | ||
| 1828 | "metadata_modified": "2023-01-31T07:03:09.231486", | 1828 | "metadata_modified": "2023-01-31T07:03:09.231486", | ||
| 1829 | "mimetype": null, | 1829 | "mimetype": null, | ||
| 1830 | "mimetype_inner": null, | 1830 | "mimetype_inner": null, | ||
| 1831 | "name": | 1831 | "name": | ||
| 1832 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00009.mdp", | 1832 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00009.mdp", | ||
| 1833 | "owner_org": "mduq", | 1833 | "owner_org": "mduq", | ||
| 1834 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1834 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1835 | "position": 71, | 1835 | "position": 71, | ||
| 1836 | "resource_type": "control", | 1836 | "resource_type": "control", | ||
| 1837 | "run": 9, | 1837 | "run": 9, | ||
| 1838 | "size": 1728, | 1838 | "size": 1728, | ||
| 1839 | "state": "active", | 1839 | "state": "active", | ||
| 1840 | "url": | 1840 | "url": | ||
| 1841 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00009.mdp", | 1841 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00009.mdp", | ||
| 1842 | "url_type": null | 1842 | "url_type": null | ||
| 1843 | }, | 1843 | }, | ||
| 1844 | { | 1844 | { | ||
| 1845 | "cache_last_updated": null, | 1845 | "cache_last_updated": null, | ||
| 1846 | "cache_url": null, | 1846 | "cache_url": null, | ||
| 1847 | "created": "2023-01-31T07:03:09.269964", | 1847 | "created": "2023-01-31T07:03:09.269964", | ||
| 1848 | "description": null, | 1848 | "description": null, | ||
| 1849 | "format": "tpr", | 1849 | "format": "tpr", | ||
| 1850 | "hash": "", | 1850 | "hash": "", | ||
| 1851 | "id": "2bcd1cb4-6883-4aa4-b1e0-575101c517e6", | 1851 | "id": "2bcd1cb4-6883-4aa4-b1e0-575101c517e6", | ||
| 1852 | "last_modified": null, | 1852 | "last_modified": null, | ||
| 1853 | "metadata_modified": "2023-02-02T05:01:10.054960", | 1853 | "metadata_modified": "2023-02-02T05:01:10.054960", | ||
| 1854 | "mimetype": null, | 1854 | "mimetype": null, | ||
| 1855 | "mimetype_inner": null, | 1855 | "mimetype_inner": null, | ||
| 1856 | "name": | 1856 | "name": | ||
| 1857 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00009.tpr", | 1857 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00009.tpr", | ||
| 1858 | "owner_org": "mduq", | 1858 | "owner_org": "mduq", | ||
| 1859 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1859 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1860 | "position": 72, | 1860 | "position": 72, | ||
| 1861 | "resource_type": "forcefield-files", | 1861 | "resource_type": "forcefield-files", | ||
| 1862 | "run": 9, | 1862 | "run": 9, | ||
| 1863 | "size": 13211768, | 1863 | "size": 13211768, | ||
| 1864 | "state": "active", | 1864 | "state": "active", | ||
| 1865 | "url": | 1865 | "url": | ||
| 1866 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00009.tpr", | 1866 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00009.tpr", | ||
| 1867 | "url_type": null | 1867 | "url_type": null | ||
| 1868 | }, | 1868 | }, | ||
| 1869 | { | 1869 | { | ||
| 1870 | "cache_last_updated": null, | 1870 | "cache_last_updated": null, | ||
| 1871 | "cache_url": null, | 1871 | "cache_url": null, | ||
| 1872 | "created": "2023-01-31T07:03:09.269960", | 1872 | "created": "2023-01-31T07:03:09.269960", | ||
| 1873 | "description": null, | 1873 | "description": null, | ||
| 1874 | "format": "gro", | 1874 | "format": "gro", | ||
| 1875 | "hash": "", | 1875 | "hash": "", | ||
| 1876 | "id": "2fc2efb6-fa9a-4642-b435-a647efa2a293", | 1876 | "id": "2fc2efb6-fa9a-4642-b435-a647efa2a293", | ||
| 1877 | "last_modified": null, | 1877 | "last_modified": null, | ||
| 1878 | "metadata_modified": "2023-01-31T07:03:09.231595", | 1878 | "metadata_modified": "2023-01-31T07:03:09.231595", | ||
| 1879 | "mimetype": null, | 1879 | "mimetype": null, | ||
| 1880 | "mimetype_inner": null, | 1880 | "mimetype_inner": null, | ||
| 1881 | "name": | 1881 | "name": | ||
| 1882 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00009.gro", | 1882 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00009.gro", | ||
| 1883 | "owner_org": "mduq", | 1883 | "owner_org": "mduq", | ||
| 1884 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1884 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1885 | "position": 73, | 1885 | "position": 73, | ||
| 1886 | "resource_type": "input-coordinates", | 1886 | "resource_type": "input-coordinates", | ||
| 1887 | "run": 9, | 1887 | "run": 9, | ||
| 1888 | "size": 19896007, | 1888 | "size": 19896007, | ||
| 1889 | "state": "active", | 1889 | "state": "active", | ||
| 1890 | "url": | 1890 | "url": | ||
| 1891 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00009.gro", | 1891 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00009.gro", | ||
| 1892 | "url_type": null | 1892 | "url_type": null | ||
| 1893 | }, | 1893 | }, | ||
| 1894 | { | 1894 | { | ||
| 1895 | "cache_last_updated": null, | 1895 | "cache_last_updated": null, | ||
| 1896 | "cache_url": null, | 1896 | "cache_url": null, | ||
| 1897 | "created": "2023-01-31T07:03:09.269962", | 1897 | "created": "2023-01-31T07:03:09.269962", | ||
| 1898 | "description": null, | 1898 | "description": null, | ||
| 1899 | "format": "log", | 1899 | "format": "log", | ||
| 1900 | "hash": "", | 1900 | "hash": "", | ||
| 1901 | "id": "0719254b-87bb-472b-9f7a-42b7e42711f9", | 1901 | "id": "0719254b-87bb-472b-9f7a-42b7e42711f9", | ||
| 1902 | "last_modified": null, | 1902 | "last_modified": null, | ||
| 1903 | "metadata_modified": "2023-01-31T07:03:09.231704", | 1903 | "metadata_modified": "2023-01-31T07:03:09.231704", | ||
| 1904 | "mimetype": null, | 1904 | "mimetype": null, | ||
| 1905 | "mimetype_inner": null, | 1905 | "mimetype_inner": null, | ||
| 1906 | "name": | 1906 | "name": | ||
| 1907 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00009.log", | 1907 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00009.log", | ||
| 1908 | "owner_org": "mduq", | 1908 | "owner_org": "mduq", | ||
| 1909 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1909 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1910 | "position": 74, | 1910 | "position": 74, | ||
| 1911 | "resource_type": "log", | 1911 | "resource_type": "log", | ||
| 1912 | "run": 9, | 1912 | "run": 9, | ||
| 1913 | "size": 36686, | 1913 | "size": 36686, | ||
| 1914 | "state": "active", | 1914 | "state": "active", | ||
| 1915 | "url": | 1915 | "url": | ||
| 1916 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00009.log", | 1916 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00009.log", | ||
| 1917 | "url_type": null | 1917 | "url_type": null | ||
| 1918 | }, | 1918 | }, | ||
| 1919 | { | 1919 | { | ||
| 1920 | "cache_last_updated": null, | 1920 | "cache_last_updated": null, | ||
| 1921 | "cache_url": null, | 1921 | "cache_url": null, | ||
| 1922 | "created": "2023-01-31T07:03:09.269963", | 1922 | "created": "2023-01-31T07:03:09.269963", | ||
| 1923 | "description": null, | 1923 | "description": null, | ||
| 1924 | "format": "edr", | 1924 | "format": "edr", | ||
| 1925 | "hash": "", | 1925 | "hash": "", | ||
| 1926 | "id": "655eb208-906b-4c3c-8c7c-758f6ed91331", | 1926 | "id": "655eb208-906b-4c3c-8c7c-758f6ed91331", | ||
| 1927 | "last_modified": null, | 1927 | "last_modified": null, | ||
| 1928 | "metadata_modified": "2023-01-31T07:03:09.231811", | 1928 | "metadata_modified": "2023-01-31T07:03:09.231811", | ||
| 1929 | "mimetype": null, | 1929 | "mimetype": null, | ||
| 1930 | "mimetype_inner": null, | 1930 | "mimetype_inner": null, | ||
| 1931 | "name": | 1931 | "name": | ||
| 1932 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00009.edr", | 1932 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00009.edr", | ||
| 1933 | "owner_org": "mduq", | 1933 | "owner_org": "mduq", | ||
| 1934 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1934 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1935 | "position": 75, | 1935 | "position": 75, | ||
| 1936 | "resource_type": "energy", | 1936 | "resource_type": "energy", | ||
| 1937 | "run": 9, | 1937 | "run": 9, | ||
| 1938 | "size": 497280, | 1938 | "size": 497280, | ||
| 1939 | "state": "active", | 1939 | "state": "active", | ||
| 1940 | "url": | 1940 | "url": | ||
| 1941 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00009.edr", | 1941 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00009.edr", | ||
| 1942 | "url_type": null | 1942 | "url_type": null | ||
| 1943 | }, | 1943 | }, | ||
| 1944 | { | 1944 | { | ||
| 1945 | "cache_last_updated": null, | 1945 | "cache_last_updated": null, | ||
| 1946 | "cache_url": null, | 1946 | "cache_url": null, | ||
| 1947 | "created": "2023-01-31T07:03:09.269966", | 1947 | "created": "2023-01-31T07:03:09.269966", | ||
| 1948 | "description": null, | 1948 | "description": null, | ||
| 1949 | "format": "top", | 1949 | "format": "top", | ||
| 1950 | "hash": "", | 1950 | "hash": "", | ||
| 1951 | "id": "0f165394-3dba-4cab-a1e8-ec8062d2afbb", | 1951 | "id": "0f165394-3dba-4cab-a1e8-ec8062d2afbb", | ||
| 1952 | "last_modified": null, | 1952 | "last_modified": null, | ||
| 1953 | "metadata_modified": "2023-01-31T07:03:09.232025", | 1953 | "metadata_modified": "2023-01-31T07:03:09.232025", | ||
| 1954 | "mimetype": null, | 1954 | "mimetype": null, | ||
| 1955 | "mimetype_inner": null, | 1955 | "mimetype_inner": null, | ||
| 1956 | "name": | 1956 | "name": | ||
| 1957 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00009.top", | 1957 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00009.top", | ||
| 1958 | "owner_org": "mduq", | 1958 | "owner_org": "mduq", | ||
| 1959 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1959 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1960 | "position": 76, | 1960 | "position": 76, | ||
| 1961 | "resource_type": "topology", | 1961 | "resource_type": "topology", | ||
| 1962 | "run": 9, | 1962 | "run": 9, | ||
| 1963 | "size": 3412, | 1963 | "size": 3412, | ||
| 1964 | "state": "active", | 1964 | "state": "active", | ||
| 1965 | "url": | 1965 | "url": | ||
| 1966 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00009.top", | 1966 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00009.top", | ||
| 1967 | "url_type": null | 1967 | "url_type": null | ||
| 1968 | }, | 1968 | }, | ||
| 1969 | { | 1969 | { | ||
| 1970 | "cache_last_updated": null, | 1970 | "cache_last_updated": null, | ||
| 1971 | "cache_url": null, | 1971 | "cache_url": null, | ||
| 1972 | "created": "2023-01-31T07:03:09.269967", | 1972 | "created": "2023-01-31T07:03:09.269967", | ||
| 1973 | "description": null, | 1973 | "description": null, | ||
| 1974 | "format": "gro", | 1974 | "format": "gro", | ||
| 1975 | "hash": "", | 1975 | "hash": "", | ||
| 1976 | "id": "628aa6cb-f190-4ea9-b92e-8bbb6a2f07f1", | 1976 | "id": "628aa6cb-f190-4ea9-b92e-8bbb6a2f07f1", | ||
| 1977 | "last_modified": null, | 1977 | "last_modified": null, | ||
| 1978 | "metadata_modified": "2023-01-31T07:03:09.232132", | 1978 | "metadata_modified": "2023-01-31T07:03:09.232132", | ||
| 1979 | "mimetype": null, | 1979 | "mimetype": null, | ||
| 1980 | "mimetype_inner": null, | 1980 | "mimetype_inner": null, | ||
| 1981 | "name": | 1981 | "name": | ||
| 1982 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00009.gro", | 1982 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00009.gro", | ||
| 1983 | "owner_org": "mduq", | 1983 | "owner_org": "mduq", | ||
| 1984 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 1984 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 1985 | "position": 77, | 1985 | "position": 77, | ||
| 1986 | "resource_type": "final-coordinates", | 1986 | "resource_type": "final-coordinates", | ||
| 1987 | "run": 9, | 1987 | "run": 9, | ||
| 1988 | "size": 19895988, | 1988 | "size": 19895988, | ||
| 1989 | "state": "active", | 1989 | "state": "active", | ||
| 1990 | "url": | 1990 | "url": | ||
| 1991 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00009.gro", | 1991 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00009.gro", | ||
| 1992 | "url_type": null | 1992 | "url_type": null | ||
| 1993 | }, | 1993 | }, | ||
| 1994 | { | 1994 | { | ||
| 1995 | "cache_last_updated": null, | 1995 | "cache_last_updated": null, | ||
| 1996 | "cache_url": null, | 1996 | "cache_url": null, | ||
| 1997 | "created": "2023-01-31T07:03:09.269968", | 1997 | "created": "2023-01-31T07:03:09.269968", | ||
| 1998 | "description": null, | 1998 | "description": null, | ||
| 1999 | "format": "gro", | 1999 | "format": "gro", | ||
| 2000 | "hash": "", | 2000 | "hash": "", | ||
| 2001 | "id": "19ca0773-c115-417f-b64c-5cf03a72dbeb", | 2001 | "id": "19ca0773-c115-417f-b64c-5cf03a72dbeb", | ||
| 2002 | "last_modified": null, | 2002 | "last_modified": null, | ||
| 2003 | "metadata_modified": "2023-01-31T07:03:09.232239", | 2003 | "metadata_modified": "2023-01-31T07:03:09.232239", | ||
| 2004 | "mimetype": null, | 2004 | "mimetype": null, | ||
| 2005 | "mimetype_inner": null, | 2005 | "mimetype_inner": null, | ||
| 2006 | "name": | 2006 | "name": | ||
| 2007 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00009.gro", | 2007 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00009.gro", | ||
| 2008 | "owner_org": "mduq", | 2008 | "owner_org": "mduq", | ||
| 2009 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2009 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2010 | "position": 78, | 2010 | "position": 78, | ||
| 2011 | "resource_type": "restraints", | 2011 | "resource_type": "restraints", | ||
| 2012 | "run": 9, | 2012 | "run": 9, | ||
| 2013 | "size": 19896006, | 2013 | "size": 19896006, | ||
| 2014 | "state": "active", | 2014 | "state": "active", | ||
| 2015 | "url": | 2015 | "url": | ||
| 2016 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00009.gro", | 2016 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00009.gro", | ||
| 2017 | "url_type": null | 2017 | "url_type": null | ||
| 2018 | }, | 2018 | }, | ||
| 2019 | { | 2019 | { | ||
| 2020 | "cache_last_updated": null, | 2020 | "cache_last_updated": null, | ||
| 2021 | "cache_url": null, | 2021 | "cache_url": null, | ||
| 2022 | "created": "2023-01-31T07:03:09.269969", | 2022 | "created": "2023-01-31T07:03:09.269969", | ||
| 2023 | "description": null, | 2023 | "description": null, | ||
| 2024 | "format": "mdp", | 2024 | "format": "mdp", | ||
| 2025 | "hash": "", | 2025 | "hash": "", | ||
| 2026 | "id": "af0d48e2-633a-40ac-85bb-0a11a26a65ed", | 2026 | "id": "af0d48e2-633a-40ac-85bb-0a11a26a65ed", | ||
| 2027 | "last_modified": null, | 2027 | "last_modified": null, | ||
| 2028 | "metadata_modified": "2023-01-31T07:03:09.232346", | 2028 | "metadata_modified": "2023-01-31T07:03:09.232346", | ||
| 2029 | "mimetype": null, | 2029 | "mimetype": null, | ||
| 2030 | "mimetype_inner": null, | 2030 | "mimetype_inner": null, | ||
| 2031 | "name": | 2031 | "name": | ||
| 2032 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00010.mdp", | 2032 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00010.mdp", | ||
| 2033 | "owner_org": "mduq", | 2033 | "owner_org": "mduq", | ||
| 2034 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2034 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2035 | "position": 79, | 2035 | "position": 79, | ||
| 2036 | "resource_type": "control", | 2036 | "resource_type": "control", | ||
| 2037 | "run": 10, | 2037 | "run": 10, | ||
| 2038 | "size": 1728, | 2038 | "size": 1728, | ||
| 2039 | "state": "active", | 2039 | "state": "active", | ||
| 2040 | "url": | 2040 | "url": | ||
| 2041 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00010.mdp", | 2041 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00010.mdp", | ||
| 2042 | "url_type": null | 2042 | "url_type": null | ||
| 2043 | }, | 2043 | }, | ||
| 2044 | { | 2044 | { | ||
| 2045 | "cache_last_updated": null, | 2045 | "cache_last_updated": null, | ||
| 2046 | "cache_url": null, | 2046 | "cache_url": null, | ||
| 2047 | "created": "2023-01-31T07:03:09.269975", | 2047 | "created": "2023-01-31T07:03:09.269975", | ||
| 2048 | "description": null, | 2048 | "description": null, | ||
| 2049 | "format": "tpr", | 2049 | "format": "tpr", | ||
| 2050 | "hash": "", | 2050 | "hash": "", | ||
| 2051 | "id": "a22c65e7-04f7-4f33-94b9-8aaa7275d45c", | 2051 | "id": "a22c65e7-04f7-4f33-94b9-8aaa7275d45c", | ||
| 2052 | "last_modified": null, | 2052 | "last_modified": null, | ||
| 2053 | "metadata_modified": "2023-02-02T05:01:10.055549", | 2053 | "metadata_modified": "2023-02-02T05:01:10.055549", | ||
| 2054 | "mimetype": null, | 2054 | "mimetype": null, | ||
| 2055 | "mimetype_inner": null, | 2055 | "mimetype_inner": null, | ||
| 2056 | "name": | 2056 | "name": | ||
| 2057 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00010.tpr", | 2057 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00010.tpr", | ||
| 2058 | "owner_org": "mduq", | 2058 | "owner_org": "mduq", | ||
| 2059 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2059 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2060 | "position": 80, | 2060 | "position": 80, | ||
| 2061 | "resource_type": "forcefield-files", | 2061 | "resource_type": "forcefield-files", | ||
| 2062 | "run": 10, | 2062 | "run": 10, | ||
| 2063 | "size": 7427940, | 2063 | "size": 7427940, | ||
| 2064 | "state": "active", | 2064 | "state": "active", | ||
| 2065 | "url": | 2065 | "url": | ||
| 2066 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00010.tpr", | 2066 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00010.tpr", | ||
| 2067 | "url_type": null | 2067 | "url_type": null | ||
| 2068 | }, | 2068 | }, | ||
| 2069 | { | 2069 | { | ||
| 2070 | "cache_last_updated": null, | 2070 | "cache_last_updated": null, | ||
| 2071 | "cache_url": null, | 2071 | "cache_url": null, | ||
| 2072 | "created": "2023-01-31T07:03:09.269971", | 2072 | "created": "2023-01-31T07:03:09.269971", | ||
| 2073 | "description": null, | 2073 | "description": null, | ||
| 2074 | "format": "gro", | 2074 | "format": "gro", | ||
| 2075 | "hash": "", | 2075 | "hash": "", | ||
| 2076 | "id": "b1b4fb0c-77ae-4ff4-98ac-dd47f641c5e1", | 2076 | "id": "b1b4fb0c-77ae-4ff4-98ac-dd47f641c5e1", | ||
| 2077 | "last_modified": null, | 2077 | "last_modified": null, | ||
| 2078 | "metadata_modified": "2023-01-31T07:03:09.232451", | 2078 | "metadata_modified": "2023-01-31T07:03:09.232451", | ||
| 2079 | "mimetype": null, | 2079 | "mimetype": null, | ||
| 2080 | "mimetype_inner": null, | 2080 | "mimetype_inner": null, | ||
| 2081 | "name": | 2081 | "name": | ||
| 2082 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00010.gro", | 2082 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00010.gro", | ||
| 2083 | "owner_org": "mduq", | 2083 | "owner_org": "mduq", | ||
| 2084 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2084 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2085 | "position": 81, | 2085 | "position": 81, | ||
| 2086 | "resource_type": "input-coordinates", | 2086 | "resource_type": "input-coordinates", | ||
| 2087 | "run": 10, | 2087 | "run": 10, | ||
| 2088 | "size": 19694527, | 2088 | "size": 19694527, | ||
| 2089 | "state": "active", | 2089 | "state": "active", | ||
| 2090 | "url": | 2090 | "url": | ||
| 2091 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00010.gro", | 2091 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00010.gro", | ||
| 2092 | "url_type": null | 2092 | "url_type": null | ||
| 2093 | }, | 2093 | }, | ||
| 2094 | { | 2094 | { | ||
| 2095 | "cache_last_updated": null, | 2095 | "cache_last_updated": null, | ||
| 2096 | "cache_url": null, | 2096 | "cache_url": null, | ||
| 2097 | "created": "2023-01-31T07:03:09.269972", | 2097 | "created": "2023-01-31T07:03:09.269972", | ||
| 2098 | "description": null, | 2098 | "description": null, | ||
| 2099 | "format": "log", | 2099 | "format": "log", | ||
| 2100 | "hash": "", | 2100 | "hash": "", | ||
| 2101 | "id": "e0f0e6a8-8e01-4a89-82ee-dab1e77a2c62", | 2101 | "id": "e0f0e6a8-8e01-4a89-82ee-dab1e77a2c62", | ||
| 2102 | "last_modified": null, | 2102 | "last_modified": null, | ||
| 2103 | "metadata_modified": "2023-01-31T07:03:09.232557", | 2103 | "metadata_modified": "2023-01-31T07:03:09.232557", | ||
| 2104 | "mimetype": null, | 2104 | "mimetype": null, | ||
| 2105 | "mimetype_inner": null, | 2105 | "mimetype_inner": null, | ||
| 2106 | "name": | 2106 | "name": | ||
| 2107 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00010.log", | 2107 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00010.log", | ||
| 2108 | "owner_org": "mduq", | 2108 | "owner_org": "mduq", | ||
| 2109 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2109 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2110 | "position": 82, | 2110 | "position": 82, | ||
| 2111 | "resource_type": "log", | 2111 | "resource_type": "log", | ||
| 2112 | "run": 10, | 2112 | "run": 10, | ||
| 2113 | "size": 36685, | 2113 | "size": 36685, | ||
| 2114 | "state": "active", | 2114 | "state": "active", | ||
| 2115 | "url": | 2115 | "url": | ||
| 2116 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00010.log", | 2116 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00010.log", | ||
| 2117 | "url_type": null | 2117 | "url_type": null | ||
| 2118 | }, | 2118 | }, | ||
| 2119 | { | 2119 | { | ||
| 2120 | "cache_last_updated": null, | 2120 | "cache_last_updated": null, | ||
| 2121 | "cache_url": null, | 2121 | "cache_url": null, | ||
| 2122 | "created": "2023-01-31T07:03:09.269973", | 2122 | "created": "2023-01-31T07:03:09.269973", | ||
| 2123 | "description": null, | 2123 | "description": null, | ||
| 2124 | "format": "edr", | 2124 | "format": "edr", | ||
| 2125 | "hash": "", | 2125 | "hash": "", | ||
| 2126 | "id": "10c6c22a-9639-4ac2-98f8-3abd99291be7", | 2126 | "id": "10c6c22a-9639-4ac2-98f8-3abd99291be7", | ||
| 2127 | "last_modified": null, | 2127 | "last_modified": null, | ||
| 2128 | "metadata_modified": "2023-01-31T07:03:09.232664", | 2128 | "metadata_modified": "2023-01-31T07:03:09.232664", | ||
| 2129 | "mimetype": null, | 2129 | "mimetype": null, | ||
| 2130 | "mimetype_inner": null, | 2130 | "mimetype_inner": null, | ||
| 2131 | "name": | 2131 | "name": | ||
| 2132 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00010.edr", | 2132 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00010.edr", | ||
| 2133 | "owner_org": "mduq", | 2133 | "owner_org": "mduq", | ||
| 2134 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2134 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2135 | "position": 83, | 2135 | "position": 83, | ||
| 2136 | "resource_type": "energy", | 2136 | "resource_type": "energy", | ||
| 2137 | "run": 10, | 2137 | "run": 10, | ||
| 2138 | "size": 497280, | 2138 | "size": 497280, | ||
| 2139 | "state": "active", | 2139 | "state": "active", | ||
| 2140 | "url": | 2140 | "url": | ||
| 2141 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00010.edr", | 2141 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00010.edr", | ||
| 2142 | "url_type": null | 2142 | "url_type": null | ||
| 2143 | }, | 2143 | }, | ||
| 2144 | { | 2144 | { | ||
| 2145 | "cache_last_updated": null, | 2145 | "cache_last_updated": null, | ||
| 2146 | "cache_url": null, | 2146 | "cache_url": null, | ||
| 2147 | "created": "2023-01-31T07:03:09.269976", | 2147 | "created": "2023-01-31T07:03:09.269976", | ||
| 2148 | "description": null, | 2148 | "description": null, | ||
| 2149 | "format": "top", | 2149 | "format": "top", | ||
| 2150 | "hash": "", | 2150 | "hash": "", | ||
| 2151 | "id": "679d036c-ab31-48d7-a710-81a030efa281", | 2151 | "id": "679d036c-ab31-48d7-a710-81a030efa281", | ||
| 2152 | "last_modified": null, | 2152 | "last_modified": null, | ||
| 2153 | "metadata_modified": "2023-01-31T07:03:09.232883", | 2153 | "metadata_modified": "2023-01-31T07:03:09.232883", | ||
| 2154 | "mimetype": null, | 2154 | "mimetype": null, | ||
| 2155 | "mimetype_inner": null, | 2155 | "mimetype_inner": null, | ||
| 2156 | "name": | 2156 | "name": | ||
| 2157 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00010.top", | 2157 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00010.top", | ||
| 2158 | "owner_org": "mduq", | 2158 | "owner_org": "mduq", | ||
| 2159 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2159 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2160 | "position": 84, | 2160 | "position": 84, | ||
| 2161 | "resource_type": "topology", | 2161 | "resource_type": "topology", | ||
| 2162 | "run": 10, | 2162 | "run": 10, | ||
| 2163 | "size": 3409, | 2163 | "size": 3409, | ||
| 2164 | "state": "active", | 2164 | "state": "active", | ||
| 2165 | "url": | 2165 | "url": | ||
| 2166 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00010.top", | 2166 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00010.top", | ||
| 2167 | "url_type": null | 2167 | "url_type": null | ||
| 2168 | }, | 2168 | }, | ||
| 2169 | { | 2169 | { | ||
| 2170 | "cache_last_updated": null, | 2170 | "cache_last_updated": null, | ||
| 2171 | "cache_url": null, | 2171 | "cache_url": null, | ||
| 2172 | "created": "2023-01-31T07:03:09.269977", | 2172 | "created": "2023-01-31T07:03:09.269977", | ||
| 2173 | "description": null, | 2173 | "description": null, | ||
| 2174 | "format": "gro", | 2174 | "format": "gro", | ||
| 2175 | "hash": "", | 2175 | "hash": "", | ||
| 2176 | "id": "f5f88bd1-ea3a-4e92-8906-d83632fd7029", | 2176 | "id": "f5f88bd1-ea3a-4e92-8906-d83632fd7029", | ||
| 2177 | "last_modified": null, | 2177 | "last_modified": null, | ||
| 2178 | "metadata_modified": "2023-01-31T07:03:09.232990", | 2178 | "metadata_modified": "2023-01-31T07:03:09.232990", | ||
| 2179 | "mimetype": null, | 2179 | "mimetype": null, | ||
| 2180 | "mimetype_inner": null, | 2180 | "mimetype_inner": null, | ||
| 2181 | "name": | 2181 | "name": | ||
| 2182 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00010.gro", | 2182 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00010.gro", | ||
| 2183 | "owner_org": "mduq", | 2183 | "owner_org": "mduq", | ||
| 2184 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2184 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2185 | "position": 85, | 2185 | "position": 85, | ||
| 2186 | "resource_type": "final-coordinates", | 2186 | "resource_type": "final-coordinates", | ||
| 2187 | "run": 10, | 2187 | "run": 10, | ||
| 2188 | "size": 19694508, | 2188 | "size": 19694508, | ||
| 2189 | "state": "active", | 2189 | "state": "active", | ||
| 2190 | "url": | 2190 | "url": | ||
| 2191 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00010.gro", | 2191 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00010.gro", | ||
| 2192 | "url_type": null | 2192 | "url_type": null | ||
| 2193 | }, | 2193 | }, | ||
| 2194 | { | 2194 | { | ||
| 2195 | "cache_last_updated": null, | 2195 | "cache_last_updated": null, | ||
| 2196 | "cache_url": null, | 2196 | "cache_url": null, | ||
| 2197 | "created": "2023-01-31T07:03:09.269978", | 2197 | "created": "2023-01-31T07:03:09.269978", | ||
| 2198 | "description": null, | 2198 | "description": null, | ||
| 2199 | "format": "gro", | 2199 | "format": "gro", | ||
| 2200 | "hash": "", | 2200 | "hash": "", | ||
| 2201 | "id": "ac29bab5-e1bf-4029-b447-af19b8a816f2", | 2201 | "id": "ac29bab5-e1bf-4029-b447-af19b8a816f2", | ||
| 2202 | "last_modified": null, | 2202 | "last_modified": null, | ||
| 2203 | "metadata_modified": "2023-01-31T07:03:09.233098", | 2203 | "metadata_modified": "2023-01-31T07:03:09.233098", | ||
| 2204 | "mimetype": null, | 2204 | "mimetype": null, | ||
| 2205 | "mimetype_inner": null, | 2205 | "mimetype_inner": null, | ||
| 2206 | "name": | 2206 | "name": | ||
| 2207 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00010.gro", | 2207 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00010.gro", | ||
| 2208 | "owner_org": "mduq", | 2208 | "owner_org": "mduq", | ||
| 2209 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2209 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2210 | "position": 86, | 2210 | "position": 86, | ||
| 2211 | "resource_type": "restraints", | 2211 | "resource_type": "restraints", | ||
| 2212 | "run": 10, | 2212 | "run": 10, | ||
| 2213 | "size": 19694526, | 2213 | "size": 19694526, | ||
| 2214 | "state": "active", | 2214 | "state": "active", | ||
| 2215 | "url": | 2215 | "url": | ||
| 2216 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00010.gro", | 2216 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00010.gro", | ||
| 2217 | "url_type": null | 2217 | "url_type": null | ||
| 2218 | }, | 2218 | }, | ||
| 2219 | { | 2219 | { | ||
| 2220 | "cache_last_updated": null, | 2220 | "cache_last_updated": null, | ||
| 2221 | "cache_url": null, | 2221 | "cache_url": null, | ||
| 2222 | "created": "2023-01-31T07:03:09.269980", | 2222 | "created": "2023-01-31T07:03:09.269980", | ||
| 2223 | "description": null, | 2223 | "description": null, | ||
| 2224 | "format": "mdp", | 2224 | "format": "mdp", | ||
| 2225 | "hash": "", | 2225 | "hash": "", | ||
| 2226 | "id": "97995d6b-fccd-4d05-bdfc-380168b49bca", | 2226 | "id": "97995d6b-fccd-4d05-bdfc-380168b49bca", | ||
| 2227 | "last_modified": null, | 2227 | "last_modified": null, | ||
| 2228 | "metadata_modified": "2023-01-31T07:03:09.233205", | 2228 | "metadata_modified": "2023-01-31T07:03:09.233205", | ||
| 2229 | "mimetype": null, | 2229 | "mimetype": null, | ||
| 2230 | "mimetype_inner": null, | 2230 | "mimetype_inner": null, | ||
| 2231 | "name": | 2231 | "name": | ||
| 2232 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00011.mdp", | 2232 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00011.mdp", | ||
| 2233 | "owner_org": "mduq", | 2233 | "owner_org": "mduq", | ||
| 2234 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2234 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2235 | "position": 87, | 2235 | "position": 87, | ||
| 2236 | "resource_type": "control", | 2236 | "resource_type": "control", | ||
| 2237 | "run": 11, | 2237 | "run": 11, | ||
| 2238 | "size": 1729, | 2238 | "size": 1729, | ||
| 2239 | "state": "active", | 2239 | "state": "active", | ||
| 2240 | "url": | 2240 | "url": | ||
| 2241 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00011.mdp", | 2241 | ed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_control_00011.mdp", | ||
| 2242 | "url_type": null | 2242 | "url_type": null | ||
| 2243 | }, | 2243 | }, | ||
| 2244 | { | 2244 | { | ||
| 2245 | "cache_last_updated": null, | 2245 | "cache_last_updated": null, | ||
| 2246 | "cache_url": null, | 2246 | "cache_url": null, | ||
| 2247 | "created": "2023-01-31T07:03:09.269985", | 2247 | "created": "2023-01-31T07:03:09.269985", | ||
| 2248 | "description": null, | 2248 | "description": null, | ||
| 2249 | "format": "tpr", | 2249 | "format": "tpr", | ||
| 2250 | "hash": "", | 2250 | "hash": "", | ||
| 2251 | "id": "f8612ba8-081d-4d11-b9b8-44c2d73adb9f", | 2251 | "id": "f8612ba8-081d-4d11-b9b8-44c2d73adb9f", | ||
| 2252 | "last_modified": null, | 2252 | "last_modified": null, | ||
| 2253 | "metadata_modified": "2023-02-02T05:01:10.056134", | 2253 | "metadata_modified": "2023-02-02T05:01:10.056134", | ||
| 2254 | "mimetype": null, | 2254 | "mimetype": null, | ||
| 2255 | "mimetype_inner": null, | 2255 | "mimetype_inner": null, | ||
| 2256 | "name": | 2256 | "name": | ||
| 2257 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00011.tpr", | 2257 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00011.tpr", | ||
| 2258 | "owner_org": "mduq", | 2258 | "owner_org": "mduq", | ||
| 2259 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2259 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2260 | "position": 88, | 2260 | "position": 88, | ||
| 2261 | "resource_type": "forcefield-files", | 2261 | "resource_type": "forcefield-files", | ||
| 2262 | "run": 11, | 2262 | "run": 11, | ||
| 2263 | "size": 13128888, | 2263 | "size": 13128888, | ||
| 2264 | "state": "active", | 2264 | "state": "active", | ||
| 2265 | "url": | 2265 | "url": | ||
| 2266 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00011.tpr", | 2266 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_tpr_00011.tpr", | ||
| 2267 | "url_type": null | 2267 | "url_type": null | ||
| 2268 | }, | 2268 | }, | ||
| 2269 | { | 2269 | { | ||
| 2270 | "cache_last_updated": null, | 2270 | "cache_last_updated": null, | ||
| 2271 | "cache_url": null, | 2271 | "cache_url": null, | ||
| 2272 | "created": "2023-01-31T07:03:09.269981", | 2272 | "created": "2023-01-31T07:03:09.269981", | ||
| 2273 | "description": null, | 2273 | "description": null, | ||
| 2274 | "format": "gro", | 2274 | "format": "gro", | ||
| 2275 | "hash": "", | 2275 | "hash": "", | ||
| 2276 | "id": "2335d026-9899-4e7d-a167-4a45017ec8c1", | 2276 | "id": "2335d026-9899-4e7d-a167-4a45017ec8c1", | ||
| 2277 | "last_modified": null, | 2277 | "last_modified": null, | ||
| 2278 | "metadata_modified": "2023-01-31T07:03:09.233325", | 2278 | "metadata_modified": "2023-01-31T07:03:09.233325", | ||
| 2279 | "mimetype": null, | 2279 | "mimetype": null, | ||
| 2280 | "mimetype_inner": null, | 2280 | "mimetype_inner": null, | ||
| 2281 | "name": | 2281 | "name": | ||
| 2282 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00011.gro", | 2282 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00011.gro", | ||
| 2283 | "owner_org": "mduq", | 2283 | "owner_org": "mduq", | ||
| 2284 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2284 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2285 | "position": 89, | 2285 | "position": 89, | ||
| 2286 | "resource_type": "input-coordinates", | 2286 | "resource_type": "input-coordinates", | ||
| 2287 | "run": 11, | 2287 | "run": 11, | ||
| 2288 | "size": 19691767, | 2288 | "size": 19691767, | ||
| 2289 | "state": "active", | 2289 | "state": "active", | ||
| 2290 | "url": | 2290 | "url": | ||
| 2291 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00011.gro", | 2291 | ent_CBP_Irppy2acac_with-choloroform_310K_input-coordinates_00011.gro", | ||
| 2292 | "url_type": null | 2292 | "url_type": null | ||
| 2293 | }, | 2293 | }, | ||
| 2294 | { | 2294 | { | ||
| 2295 | "cache_last_updated": null, | 2295 | "cache_last_updated": null, | ||
| 2296 | "cache_url": null, | 2296 | "cache_url": null, | ||
| 2297 | "created": "2023-01-31T07:03:09.269982", | 2297 | "created": "2023-01-31T07:03:09.269982", | ||
| 2298 | "description": null, | 2298 | "description": null, | ||
| 2299 | "format": "log", | 2299 | "format": "log", | ||
| 2300 | "hash": "", | 2300 | "hash": "", | ||
| 2301 | "id": "cf77c074-46d7-424f-a456-62215e5d6d6f", | 2301 | "id": "cf77c074-46d7-424f-a456-62215e5d6d6f", | ||
| 2302 | "last_modified": null, | 2302 | "last_modified": null, | ||
| 2303 | "metadata_modified": "2023-01-31T07:03:09.233433", | 2303 | "metadata_modified": "2023-01-31T07:03:09.233433", | ||
| 2304 | "mimetype": null, | 2304 | "mimetype": null, | ||
| 2305 | "mimetype_inner": null, | 2305 | "mimetype_inner": null, | ||
| 2306 | "name": | 2306 | "name": | ||
| 2307 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00011.log", | 2307 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00011.log", | ||
| 2308 | "owner_org": "mduq", | 2308 | "owner_org": "mduq", | ||
| 2309 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2309 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2310 | "position": 90, | 2310 | "position": 90, | ||
| 2311 | "resource_type": "log", | 2311 | "resource_type": "log", | ||
| 2312 | "run": 11, | 2312 | "run": 11, | ||
| 2313 | "size": 36685, | 2313 | "size": 36685, | ||
| 2314 | "state": "active", | 2314 | "state": "active", | ||
| 2315 | "url": | 2315 | "url": | ||
| 2316 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00011.log", | 2316 | cessed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_log_00011.log", | ||
| 2317 | "url_type": null | 2317 | "url_type": null | ||
| 2318 | }, | 2318 | }, | ||
| 2319 | { | 2319 | { | ||
| 2320 | "cache_last_updated": null, | 2320 | "cache_last_updated": null, | ||
| 2321 | "cache_url": null, | 2321 | "cache_url": null, | ||
| 2322 | "created": "2023-01-31T07:03:09.269983", | 2322 | "created": "2023-01-31T07:03:09.269983", | ||
| 2323 | "description": null, | 2323 | "description": null, | ||
| 2324 | "format": "edr", | 2324 | "format": "edr", | ||
| 2325 | "hash": "", | 2325 | "hash": "", | ||
| 2326 | "id": "7c05f688-ff23-41e6-8e2d-75a729e79c35", | 2326 | "id": "7c05f688-ff23-41e6-8e2d-75a729e79c35", | ||
| 2327 | "last_modified": null, | 2327 | "last_modified": null, | ||
| 2328 | "metadata_modified": "2023-01-31T07:03:09.233541", | 2328 | "metadata_modified": "2023-01-31T07:03:09.233541", | ||
| 2329 | "mimetype": null, | 2329 | "mimetype": null, | ||
| 2330 | "mimetype_inner": null, | 2330 | "mimetype_inner": null, | ||
| 2331 | "name": | 2331 | "name": | ||
| 2332 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00011.edr", | 2332 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00011.edr", | ||
| 2333 | "owner_org": "mduq", | 2333 | "owner_org": "mduq", | ||
| 2334 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2334 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2335 | "position": 91, | 2335 | "position": 91, | ||
| 2336 | "resource_type": "energy", | 2336 | "resource_type": "energy", | ||
| 2337 | "run": 11, | 2337 | "run": 11, | ||
| 2338 | "size": 497280, | 2338 | "size": 497280, | ||
| 2339 | "state": "active", | 2339 | "state": "active", | ||
| 2340 | "url": | 2340 | "url": | ||
| 2341 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00011.edr", | 2341 | sed_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_energy_00011.edr", | ||
| 2342 | "url_type": null | 2342 | "url_type": null | ||
| 2343 | }, | 2343 | }, | ||
| 2344 | { | 2344 | { | ||
| 2345 | "cache_last_updated": null, | 2345 | "cache_last_updated": null, | ||
| 2346 | "cache_url": null, | 2346 | "cache_url": null, | ||
| 2347 | "created": "2023-01-31T07:03:09.269986", | 2347 | "created": "2023-01-31T07:03:09.269986", | ||
| 2348 | "description": null, | 2348 | "description": null, | ||
| 2349 | "format": "top", | 2349 | "format": "top", | ||
| 2350 | "hash": "", | 2350 | "hash": "", | ||
| 2351 | "id": "22cbfa7d-0e1b-4eac-b14e-93c021b29695", | 2351 | "id": "22cbfa7d-0e1b-4eac-b14e-93c021b29695", | ||
| 2352 | "last_modified": null, | 2352 | "last_modified": null, | ||
| 2353 | "metadata_modified": "2023-01-31T07:03:09.233755", | 2353 | "metadata_modified": "2023-01-31T07:03:09.233755", | ||
| 2354 | "mimetype": null, | 2354 | "mimetype": null, | ||
| 2355 | "mimetype_inner": null, | 2355 | "mimetype_inner": null, | ||
| 2356 | "name": | 2356 | "name": | ||
| 2357 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00011.top", | 2357 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00011.top", | ||
| 2358 | "owner_org": "mduq", | 2358 | "owner_org": "mduq", | ||
| 2359 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2359 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2360 | "position": 92, | 2360 | "position": 92, | ||
| 2361 | "resource_type": "topology", | 2361 | "resource_type": "topology", | ||
| 2362 | "run": 11, | 2362 | "run": 11, | ||
| 2363 | "size": 3408, | 2363 | "size": 3408, | ||
| 2364 | "state": "active", | 2364 | "state": "active", | ||
| 2365 | "url": | 2365 | "url": | ||
| 2366 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00011.top", | 2366 | d_6wtpercent_CBP_Irppy2acac_with-choloroform_310K_topology_00011.top", | ||
| 2367 | "url_type": null | 2367 | "url_type": null | ||
| 2368 | }, | 2368 | }, | ||
| 2369 | { | 2369 | { | ||
| 2370 | "cache_last_updated": null, | 2370 | "cache_last_updated": null, | ||
| 2371 | "cache_url": null, | 2371 | "cache_url": null, | ||
| 2372 | "created": "2023-01-31T07:03:09.269987", | 2372 | "created": "2023-01-31T07:03:09.269987", | ||
| 2373 | "description": null, | 2373 | "description": null, | ||
| 2374 | "format": "gro", | 2374 | "format": "gro", | ||
| 2375 | "hash": "", | 2375 | "hash": "", | ||
| 2376 | "id": "f14fee6d-9b04-46b6-9d7a-7f171125b74e", | 2376 | "id": "f14fee6d-9b04-46b6-9d7a-7f171125b74e", | ||
| 2377 | "last_modified": null, | 2377 | "last_modified": null, | ||
| 2378 | "metadata_modified": "2023-01-31T07:03:09.233862", | 2378 | "metadata_modified": "2023-01-31T07:03:09.233862", | ||
| 2379 | "mimetype": null, | 2379 | "mimetype": null, | ||
| 2380 | "mimetype_inner": null, | 2380 | "mimetype_inner": null, | ||
| 2381 | "name": | 2381 | "name": | ||
| 2382 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00011.gro", | 2382 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00011.gro", | ||
| 2383 | "owner_org": "mduq", | 2383 | "owner_org": "mduq", | ||
| 2384 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2384 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2385 | "position": 93, | 2385 | "position": 93, | ||
| 2386 | "resource_type": "final-coordinates", | 2386 | "resource_type": "final-coordinates", | ||
| 2387 | "run": 11, | 2387 | "run": 11, | ||
| 2388 | "size": 19691748, | 2388 | "size": 19691748, | ||
| 2389 | "state": "active", | 2389 | "state": "active", | ||
| 2390 | "url": | 2390 | "url": | ||
| 2391 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00011.gro", | 2391 | ent_CBP_Irppy2acac_with-choloroform_310K_final-coordinates_00011.gro", | ||
| 2392 | "url_type": null | 2392 | "url_type": null | ||
| 2393 | }, | 2393 | }, | ||
| 2394 | { | 2394 | { | ||
| 2395 | "cache_last_updated": null, | 2395 | "cache_last_updated": null, | ||
| 2396 | "cache_url": null, | 2396 | "cache_url": null, | ||
| 2397 | "created": "2023-01-31T07:03:09.269988", | 2397 | "created": "2023-01-31T07:03:09.269988", | ||
| 2398 | "description": null, | 2398 | "description": null, | ||
| 2399 | "format": "gro", | 2399 | "format": "gro", | ||
| 2400 | "hash": "", | 2400 | "hash": "", | ||
| 2401 | "id": "dc94105d-4c39-4a14-b043-33774ad5c3a6", | 2401 | "id": "dc94105d-4c39-4a14-b043-33774ad5c3a6", | ||
| 2402 | "last_modified": null, | 2402 | "last_modified": null, | ||
| 2403 | "metadata_modified": "2023-01-31T07:03:09.233968", | 2403 | "metadata_modified": "2023-01-31T07:03:09.233968", | ||
| 2404 | "mimetype": null, | 2404 | "mimetype": null, | ||
| 2405 | "mimetype_inner": null, | 2405 | "mimetype_inner": null, | ||
| 2406 | "name": | 2406 | "name": | ||
| 2407 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00011.gro", | 2407 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00011.gro", | ||
| 2408 | "owner_org": "mduq", | 2408 | "owner_org": "mduq", | ||
| 2409 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | 2409 | "package_id": "baee1840-1440-469f-8e50-a78795749524", | ||
| 2410 | "position": 94, | 2410 | "position": 94, | ||
| 2411 | "resource_type": "restraints", | 2411 | "resource_type": "restraints", | ||
| 2412 | "run": 11, | 2412 | "run": 11, | ||
| 2413 | "size": 19691766, | 2413 | "size": 19691766, | ||
| 2414 | "state": "active", | 2414 | "state": "active", | ||
| 2415 | "url": | 2415 | "url": | ||
| 2416 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00011.gro", | 2416 | 6wtpercent_CBP_Irppy2acac_with-choloroform_310K_restraints_00011.gro", | ||
| 2417 | "url_type": null | 2417 | "url_type": null | ||
| 2418 | } | 2418 | } | ||
| 2419 | ], | 2419 | ], | ||
| 2420 | "state": "active", | 2420 | "state": "active", | ||
| 2421 | "tags": [ | 2421 | "tags": [ | ||
| 2422 | { | 2422 | { | ||
| 2423 | "display_name": "54A7", | 2423 | "display_name": "54A7", | ||
| 2424 | "id": "186c2258-e1ec-4d82-943e-14c6c00ec855", | 2424 | "id": "186c2258-e1ec-4d82-943e-14c6c00ec855", | ||
| 2425 | "name": "54A7", | 2425 | "name": "54A7", | ||
| 2426 | "state": "active", | 2426 | "state": "active", | ||
| 2427 | "vocabulary_id": null | 2427 | "vocabulary_id": null | ||
| 2428 | }, | 2428 | }, | ||
| 2429 | { | 2429 | { | ||
| 2430 | "display_name": "CBP", | 2430 | "display_name": "CBP", | ||
| 2431 | "id": "5fa41c5e-5a4e-41f3-9388-a76269db2c27", | 2431 | "id": "5fa41c5e-5a4e-41f3-9388-a76269db2c27", | ||
| 2432 | "name": "CBP", | 2432 | "name": "CBP", | ||
| 2433 | "state": "active", | 2433 | "state": "active", | ||
| 2434 | "vocabulary_id": null | 2434 | "vocabulary_id": null | ||
| 2435 | }, | 2435 | }, | ||
| 2436 | { | 2436 | { | ||
| 2437 | "display_name": "GROMOS", | 2437 | "display_name": "GROMOS", | ||
| 2438 | "id": "9bb1d329-8f1c-4912-b4bf-e8a60edb401b", | 2438 | "id": "9bb1d329-8f1c-4912-b4bf-e8a60edb401b", | ||
| 2439 | "name": "GROMOS", | 2439 | "name": "GROMOS", | ||
| 2440 | "state": "active", | 2440 | "state": "active", | ||
| 2441 | "vocabulary_id": null | 2441 | "vocabulary_id": null | ||
| 2442 | }, | 2442 | }, | ||
| 2443 | { | 2443 | { | ||
| 2444 | "display_name": "Irppy2acac", | 2444 | "display_name": "Irppy2acac", | ||
| 2445 | "id": "7df24153-40a3-4882-9fd5-459ac9d2ac82", | 2445 | "id": "7df24153-40a3-4882-9fd5-459ac9d2ac82", | ||
| 2446 | "name": "Irppy2acac", | 2446 | "name": "Irppy2acac", | ||
| 2447 | "state": "active", | 2447 | "state": "active", | ||
| 2448 | "vocabulary_id": null | 2448 | "vocabulary_id": null | ||
| 2449 | }, | 2449 | }, | ||
| 2450 | { | 2450 | { | ||
| 2451 | "display_name": "No. atoms at least 10000", | 2451 | "display_name": "No. atoms at least 10000", | ||
| 2452 | "id": "dc8da662-312e-4520-88fc-27229dffb7d2", | 2452 | "id": "dc8da662-312e-4520-88fc-27229dffb7d2", | ||
| 2453 | "name": "No. atoms at least 10000", | 2453 | "name": "No. atoms at least 10000", | ||
| 2454 | "state": "active", | 2454 | "state": "active", | ||
| 2455 | "vocabulary_id": null | 2455 | "vocabulary_id": null | ||
| 2456 | }, | 2456 | }, | ||
| 2457 | { | 2457 | { | ||
| 2458 | "display_name": "Simulation time at least 0.1 ns", | 2458 | "display_name": "Simulation time at least 0.1 ns", | ||
| 2459 | "id": "085698e0-cb5a-467e-8d75-78213f444395", | 2459 | "id": "085698e0-cb5a-467e-8d75-78213f444395", | ||
| 2460 | "name": "Simulation time at least 0.1 ns", | 2460 | "name": "Simulation time at least 0.1 ns", | ||
| 2461 | "state": "active", | 2461 | "state": "active", | ||
| 2462 | "vocabulary_id": null | 2462 | "vocabulary_id": null | ||
| 2463 | }, | 2463 | }, | ||
| 2464 | { | 2464 | { | ||
| 2465 | "display_name": "Temperature 310-320 K", | 2465 | "display_name": "Temperature 310-320 K", | ||
| 2466 | "id": "55da9a9e-60ac-4a2a-8dde-6c37f2afb716", | 2466 | "id": "55da9a9e-60ac-4a2a-8dde-6c37f2afb716", | ||
| 2467 | "name": "Temperature 310-320 K", | 2467 | "name": "Temperature 310-320 K", | ||
| 2468 | "state": "active", | 2468 | "state": "active", | ||
| 2469 | "vocabulary_id": null | 2469 | "vocabulary_id": null | ||
| 2470 | }, | 2470 | }, | ||
| 2471 | { | 2471 | { | ||
| 2472 | "display_name": "organic thin film", | 2472 | "display_name": "organic thin film", | ||
| 2473 | "id": "7e5c6b65-047e-44e5-9222-a0fda515f341", | 2473 | "id": "7e5c6b65-047e-44e5-9222-a0fda515f341", | ||
| 2474 | "name": "organic thin film", | 2474 | "name": "organic thin film", | ||
| 2475 | "state": "active", | 2475 | "state": "active", | ||
| 2476 | "vocabulary_id": null | 2476 | "vocabulary_id": null | ||
| 2477 | }, | 2477 | }, | ||
| 2478 | { | 2478 | { | ||
| 2479 | "display_name": "solution processed", | 2479 | "display_name": "solution processed", | ||
| 2480 | "id": "b8a8bbb7-899e-4582-bf5c-3265f324da05", | 2480 | "id": "b8a8bbb7-899e-4582-bf5c-3265f324da05", | ||
| 2481 | "name": "solution processed", | 2481 | "name": "solution processed", | ||
| 2482 | "state": "active", | 2482 | "state": "active", | ||
| 2483 | "vocabulary_id": null | 2483 | "vocabulary_id": null | ||
| 2484 | }, | 2484 | }, | ||
| 2485 | { | 2485 | { | ||
| 2486 | "display_name": "solvent evaporation", | 2486 | "display_name": "solvent evaporation", | ||
| 2487 | "id": "f1fca7b7-cc04-4036-a2f8-3227e6cbc5c4", | 2487 | "id": "f1fca7b7-cc04-4036-a2f8-3227e6cbc5c4", | ||
| 2488 | "name": "solvent evaporation", | 2488 | "name": "solvent evaporation", | ||
| 2489 | "state": "active", | 2489 | "state": "active", | ||
| 2490 | "vocabulary_id": null | 2490 | "vocabulary_id": null | ||
| 2491 | }, | 2491 | }, | ||
| 2492 | { | 2492 | { | ||
| 2493 | "display_name": "thermostat is Berendsen", | 2493 | "display_name": "thermostat is Berendsen", | ||
| 2494 | "id": "4fb82905-f20b-444e-9ba9-93e5d793c273", | 2494 | "id": "4fb82905-f20b-444e-9ba9-93e5d793c273", | ||
| 2495 | "name": "thermostat is Berendsen", | 2495 | "name": "thermostat is Berendsen", | ||
| 2496 | "state": "active", | 2496 | "state": "active", | ||
| 2497 | "vocabulary_id": null | 2497 | "vocabulary_id": null | ||
| 2498 | } | 2498 | } | ||
| 2499 | ], | 2499 | ], | ||
| 2500 | "title": "Solution Processed 5wt% Ir(ppy)2(acac):CBP organic | 2500 | "title": "Solution Processed 5wt% Ir(ppy)2(acac):CBP organic | ||
| 2501 | thinfilm", | 2501 | thinfilm", | ||
| 2502 | "type": "dataset", | 2502 | "type": "dataset", | ||
| 2503 | "url": null, | 2503 | "url": null, | ||
| 2504 | "version": null | 2504 | "version": null | ||
| 2505 | } | 2505 | } |