Title: MD simulation trajectory and related files for POPC/cholesterol (60 mol%) bilayer (Berger model delivered by Tieleman, modified Höltje, Gromacs 4.5)

Type Dataset Ollila O. H. Samuli, Ferreira Tiago, Topgaard Daniel (2014): MD simulation trajectory and related files for POPC/cholesterol (60 mol%) bilayer (Berger model delivered by Tieleman, modified Höltje, Gromacs 4.5). Zenodo. Dataset. https://zenodo.org/record/13286

Authors: Ollila O. H. Samuli (Aalto University) ; Ferreira Tiago (Lund University) ; Topgaard Daniel (Lund University) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, Berger force field delivered by Peter Tieleman (http://wcm.ucalgary.ca/tieleman/downloads), Modified Höltje model for cholesterol (http://dx.doi.org/10.1016/S0005-2736(01)00270-X), 50ns, T=298K, 50 POPC molecules, 5782 water molecules, 78 cholesterol molecules. This data is used in http://dx.doi.org/10.1039/C2CP42738A and in the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi. If data is used, please cite [Ferreira et al. Phys. Chem. Chem. Phys., 2013,15, 1976-1989], the nmrlipids.blogspot.fi project and the original publication related to the force field.

More information

• DOI: 10.5281/zenodo.13286

Dates

• Publication date: 2014
• Issued: December 17, 2014

Notes

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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