Published January 14, 2015
| Version v1
Dataset
Open
MD simulation trajectory and related files for POPC bilayer (CHARMM36, Gromacs 4.5)
Authors/Creators
- 1. Aalto university
- 2. Freie Universität Berlin, Germany
Description
Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36 force field (dx.doi.org/10.1021/jp101759q), 20ns, T=303K, 72 POPC molecules, 2242 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
(1.6 GB)
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md5:0b3c35b12f3592cc2a63e32fac495258
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md5:d35ead40ca570b11c7ce4bb1bbff8937
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md5:99e5def7d24628268f6eb0e0a23320f8
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187 Bytes | Download |
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md5:6a47d86956abe4903fd106bd11671f9f
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1.6 GB | Download |
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md5:f0996b98c40b3abc9bd9afedc9def123
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563.3 kB | Download |
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md5:81f6d782b38874c2b4ba8a8c8bf921cc
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1.1 MB | Download |