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

dataset
posted on 17.12.2014 by Ollila O. H. Samuli, Ferreira Tiago, Topgaard Daniel

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.

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