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MD simulation trajectory and related files for POPC bilayer (CHARMM36, Gromacs 4.5)

Dataset published in 2015 by Ollila O. H. Samuli, Hubert Santuz ORCID, Markus Miettinen
This paper is available in a repository.
This paper is available in a repository.

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Abstract

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).