MD simulation of POPC bilayer with OPLS4 force field. 7.5 w/l.

MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS4 force field. 7.5 w/l

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 250ns pieces and tarred (named desmond_md_popc7.5wl_opls4_x-xns_trj.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: 1500

Simulation time: 500 ns

Simulation engine: Desmond 2022-2

Temperature: 300 K