Dataset Open Access
POPC @ 310K, varying amounts of NaCl. Model by Maciejewski and Rog
Javanainen, Matti; Tynkkynen, Joona
JSON Export
{
"files": [
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/300mM_50ns_100ps.xtc"
},
"checksum": "md5:a7d9ea0fe0fa186092743ef4bab1c94b",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "300mM_50ns_100ps.xtc",
"type": "xtc",
"size": 150347600
},
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/200mM_50ns_100ps.xtc"
},
"checksum": "md5:26495e163ababf07e6c664bd119ac602",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "200mM_50ns_100ps.xtc",
"type": "xtc",
"size": 151702732
},
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/300.tpr"
},
"checksum": "md5:4077a8b9bafb52780e2105ad56e5590f",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "300.tpr",
"type": "tpr",
"size": 2356456
},
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/200.tpr"
},
"checksum": "md5:df49dbfce96ab26badf619859f52060f",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "200.tpr",
"type": "tpr",
"size": 2359480
},
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/400mM_50ns_100ps.xtc"
},
"checksum": "md5:93927d284ccbbed276c58db8d4ad7d53",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "400mM_50ns_100ps.xtc",
"type": "xtc",
"size": 151390920
},
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/100mM_50ns_100ps.xtc"
},
"checksum": "md5:6f2a4bf619a3a24cc820c18edf932103",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "100mM_50ns_100ps.xtc",
"type": "xtc",
"size": 151860144
},
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/100.tpr"
},
"checksum": "md5:1f465dde3a920627d55804f5b129c6b4",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "100.tpr",
"type": "tpr",
"size": 2362504
},
{
"links": {
"self": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54/400.tpr"
},
"checksum": "md5:188ba6a4664fc6014cd7803999fd0559",
"bucket": "566134fa-e535-4ccf-a8c8-18926a3a9f54",
"key": "400.tpr",
"type": "tpr",
"size": 2353432
}
],
"owners": [
7257
],
"doi": "10.5281/zenodo.14976",
"stats": {
"volume": 1691341360.0,
"downloads": 22.0,
"unique_downloads": 8.0,
"unique_views": 33.0,
"views": 47.0
},
"links": {
"bucket": "https://sandbox.zenodo.org/api/files/566134fa-e535-4ccf-a8c8-18926a3a9f54",
"doi": "https://doi.org/10.5281/zenodo.14976",
"badge": "https://sandbox.zenodo.org/badge/doi/10.5281/zenodo.14976.svg",
"html": "https://sandbox.zenodo.org/record/14976"
},
"created": "2016-06-30T14:40:50+00:00",
"updated": "2016-09-02T21:18:35.841917+00:00",
"revision": 4,
"id": 14976,
"metadata": {
"access_right_category": "success",
"doi": "10.5281/zenodo.14976",
"description": "<p>Input parameter files and parts of the resulting trajectories for a POPC bilayer simulation with varying amounts of NaCl. The systems contain 100, 200, 300 or 400mM NaCl. The force field is an extension to the OPLS-based force field by the same authors [1]. The data for the salt-free system is available at http://dx.doi.org/10.5281/zenodo.13498</p>\n\n<p>––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––</p>\n\n<p>Files:</p>\n\n<p>XXmM_50ns_100ps.xtc – XX mM NaCl; The last 50 ns of a 90 ns long simulation (40 ns discarded from the beginning). Data saved every 100 ps.</p>\n\n<p>XX.tpr – XX mM NaCl. The run input file for Gromacs versions 4.5 and above. </p>\n\n<p>––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––––</p>\n\n<p>This data is used in the project "Matching lipid force fields with NMR data", see: http://nmrlipids.blogspot.fi and referred to in the blog as 'MacRog'</p>\n\n<p>[1] Maciejewski, A., Pasenkiewicz-Gierula, M., Cramariuc, O., Vattulainen, I., and Rog, T. <strong>Refined OPLS All-Atom Force Field for Saturated Phosphatidylcholine Bilayers at Full Hydration.</strong> The Journal of Physical Chemistry B <strong>118</strong>, 4571–4581 (2014). DOI: 10.1021/jp5016627</p>",
"license": {
"id": "CC0-1.0"
},
"title": "POPC @ 310K, varying amounts of NaCl. Model by Maciejewski and Rog",
"relations": {},
"communities": [
{
"id": "zenodo"
}
],
"publication_date": "2015-02-10",
"creators": [
{
"affiliation": "TUT",
"name": "Javanainen, Matti"
},
{
"affiliation": "TUT",
"name": "Tynkkynen, Joona"
}
],
"access_right": "open",
"resource_type": {
"type": "dataset",
"title": "Dataset"
}
}
}
0
0
views
downloads
| All versions | This version | |
|---|---|---|
| Views | 0 | 47 |
| Downloads | 0 | 22 |
| Data volume | 0 Bytes | 1.7 GB |
| Unique views | 0 | 33 |
| Unique downloads | 0 | 8 |
Indexed in
- Publication date:
- February 10, 2015
- DOI:
-
- Communities:
- License (for files):
- Creative Commons Zero v1.0 Universal