Title: MD simulation trajectory and related files for DPPC bilayer (CHARMM36, Gromacs 4.5)

Type Dataset Ollila Samuli, Miettinen Markus (2015): MD simulation trajectory and related files for DPPC bilayer (CHARMM36, Gromacs 4.5). Zenodo. Dataset. https://zenodo.org/record/15549

Authors: Ollila Samuli (Aalto University) ; Miettinen Markus (Freie Universität Berlin) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

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).

More information

• DOI: 10.5281/zenodo.15549

Dates

• Publication date: 2015
• Issued: February 20, 2015

Notes

Rights

• https://creativecommons.org/publicdomain/zero/1.0/legalcode Creative Commons Zero v1.0 Universal
• info:eu-repo/semantics/openAccess Open Access

Format

electronic resource

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