Popc/Cholesterol (70:30) Lipid Membrane, 303K, Charmm36 Force Field, Simulation Files And 100 Ns Trajectory For Openmm Simulation Engine V7

All runs were performed with openMM simulation engine v7 and CHARMM36 additive force field parameters obtained from MacKerell lab website (http://mackerell.umaryland.edu/charmm_ff.shtml). Conditions: T=303, 84 POPC and 36 Cholesterol molecules, 4800 tip3p waters, 100ns trajectory (preceded with equilibration). Charmm-format parameters were used. Topology was built using VMD. Built-in VdW switch was used. Heavy Hydrogen atoms (4amu) and 4 fs time step used in this simulation. 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

Keywords

POPC, Cholesterol, membrane, DOP, POPC, Cholesterol, Membrane, DOP

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