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

Type Dataset Ollila Samuli, Retegan, Marius (2015): MD simulation trajectory and related files for DPPC bilayer (GAFFlipid, Gromacs 4.5). Zenodo. Dataset. https://zenodo.org/record/15550

Authors: Ollila Samuli (Aalto University) ; Retegan, Marius (Max Planck Institute for Chemical Energy Conversion) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Equilibrated DPPC lipid bilayer simulation ran with Gromacs 4.5, GAFFlipid force field (http://dx.doi.org/10.1039/C2SM26007G), 50ns, T=323K, 72 DPPC molecules, 2197 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: Dickson et al. Soft Matter, 2012,8, 9617-9627 http://dx.doi.org/10.1039/C2SM26007G.

More information

• DOI: 10.5281/zenodo.15550

Dates

• Publication date: 2015
• Issued: February 20, 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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