MD simulation of POPC bilayer with OPLS4 force field. 10 w/l.
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MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS4 force field. 10 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_popc10_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: 2000 Simulation time: 500 ns Simulation engine: Desmond 2022-2 Temperature: 300 K
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Zenodo创建时间：
2024-04-12
