MD simulation of POPC bilayer with OPLS3e force field. 20 w/l.

MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS3e force field. 20 w/l.

In contrast to previous version, this version contains gromacs format trajectory file popchydr20_10-500ns_step10ps.xtc with corrected time steps.

Dataset contains original desmond trajectories (_trj), topologies (-out.cms), input files (.cfg, .msj, .cms), and other files

For the ease of the upload, trajectory files (_trj) are divided to 100ns pieces and tarred (named desmond_md_popchydr20_x-xns_.tar.gz)

Dataset also contains Gromacs converted files (.xtc, .gro and .top) 

System: POPC bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 4000

Simulation time: 500 ns

Simulation engine: Desmond 2019-4

Temperature: 300 K