Dataset Open Access
POPC @ 310K, varying amounts of NaCl. Model by Maciejewski and Rog
Javanainen, Matti; Tynkkynen, Joona
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"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>",
"doi": "10.5281/zenodo.14976",
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"title": "POPC @ 310K, varying amounts of NaCl. Model by Maciejewski and Rog"
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7257
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|---|---|---|
| Views | 0 | 47 |
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| Data volume | 0 Bytes | 1.7 GB |
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- Publication date:
- February 10, 2015
- DOI:
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- Communities:
- License (for files):
- Creative Commons Zero v1.0 Universal