Title: MD simulation trajectory and related files for DPPC bilayer in full hydration (Poger GROMOS 53A6_L, Gromacs 4.0.7, PME, traj 2)

Type Dataset Fuchs, Patrick F.J. (2015): MD simulation trajectory and related files for DPPC bilayer in full hydration (Poger GROMOS 53A6_L, Gromacs 4.0.7, PME, traj 2). Zenodo. Dataset. https://zenodo.org/record/14595

Author: Fuchs, Patrick F.J. (Paris Diderot University) ;

Links

• Item record in Zenodo
• Digital object URL

Summary

Equilibrated DPPC lipid bilayer simulation ran with Gromacs 4.0.7 using PME (Particle Mesh Ewald) for computing electrostatics, Poger GROMOS 53A6_L force field in full hydration (dx.doi.org/10.1002/jcc.21396), 100ns, T=323K, 128 DPPC molecules, 5841 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/10.1002/jcc.21396).

More information

• DOI: 10.5281/zenodo.14595

Dates

• Publication date: 2015
• Issued: January 27, 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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