Title: MD simulation trajectory and related files for POPC bilayer in medium low hydration (CHARMM36, Gromacs 4.5)

Type Dataset Ollila O. H. Samuli, Miettinen, Markus (2015): MD simulation trajectory and related files for POPC bilayer in medium low hydration (CHARMM36, Gromacs 4.5). Zenodo. Dataset. https://zenodo.org/record/4740115

Authors: Ollila O. H. Samuli (Aalto University) ; Miettinen, Markus (Freie Universität Berlin, Germany) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36 force field in medium low hydration (dx.doi.org/10.1021/jp101759q), 20ns, T=303K, 72 POPC molecules, 1080 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).

More information

• DOI: 10.5281/zenodo.4740115

Dates

• Publication date: 2015
• Issued: January 14, 2015

Rights

• https://opensource.org/licenses/GPL-3.0 GNU General Public License v3.0 only
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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