שינויים

              
    

          
          
        
        

            
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
}