title: MD simulation of POPC bilayer with OPLS3e force field. Full hydration 44 w/l
author: Milla Lindström
description: MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS3e force field. Full hydration 44 w/l. Dataset contains trajectories (_trj), topologies (-out.cms) and 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 popc44_x-xns_trj.tar.gz) Gromacs converted files are also included: popchydr44_0-500ns.xtc, desmond_md_popc200lip500ns-in_converted.gro desmond_md_popc200lip500ns-in_converted.top System: POPC bilayer in water Number of lipids: 200 (100/leaflet) Number of waters: 8859 Simulation engine: Desmond 2019-4