MD simulation of POPC bilayer with OPLS4 force field. 5 w/l

MD simulation of POPC bilayer with OPLS4 force field. 5w/l

Dataset contains trajectories (_trj), topologies (-out.cms), input files and converted gromacs format files

For the ease of the upload, trajectory file (_trj) is divided into 4 pieces and tarred (named desmond_md_popc_5wl_opls4_x-xns.tar.gz)

System: POPC bilayer in water

Number of lipids: 200 (100/leaflet)

Number of waters: 1000

Simulation time: 1000 ns

Simulation engine: Desmond 2022-2

Temperature: 300 K