Published February 20, 2015
| Version v1
Dataset
Open
MD simulation trajectory and related files for DPPC bilayer (CHARMM36, Gromacs 4.5)
Description
Equilibrated DPPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36 force field (dx.doi.org/10.1021/jp101759q), 25ns, T=323K, 72 POPC molecules, 2189 water molecules. This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi. If data is used, please cite nmrlipids.blogspot.fi project and the original publication of the parameters (dx.doi.org/10.1021/jp101759q).
Files
Files
(1.9 GB)
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md5:0b3c35b12f3592cc2a63e32fac495258
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3.0 MB | Download |
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md5:2422f58fd3ddb0fabe1d48cf3b47ffe9
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37.5 kB | Download |
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md5:57aa047b094812ab51dd1665bbaff216
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188 Bytes | Download |
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md5:618cfc069ed44e4ae4129b3135de80d5
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548.6 kB | Download |
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md5:482a15048cc6d2715e6c061cbfc953c6
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1.1 MB | Download |
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md5:56c72ff529e8e04c080dd846fa0f8806
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1.9 GB | Download |
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md5:3872edecb0fff3aa3a3053acb3ec7c43
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1.4 kB | Download |
Additional details
References
- nmrlipids.blogspot.fi
- dx.doi.org/10.1021/jp101759q