Published January 16, 2017
| Version v1
Dataset
Open
POPC/Cholesterol (50:50) lipid membrane, 303K, Charmm36 force field, simulation files and 100 ns trajectory for GROMACS simulation engine v5
Description
All runs were performed with GROMACS simulation engine v5 and CHARMM36 additive force field parameters obtained from MacKerell lab website (http://mackerell.umaryland.edu/charmm_ff.shtml, also available at
https://doi.org/10.5281/zenodo.209080). Conditions: T=303, 80 POPC and 80 Cholesterol molecules, 7200 tip3p waters, 100ns trajectory (preceded with equilibration).
These data were originally obtained for the nmrlipids.blospot.fi project.
Find more details at nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi
Files
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(1.3 GB)
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