MD simulation of POPC bilayer with OPLS3e force field. 5 w/l.
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MD simulation of POPC bilayer with OPLS3e force field. 5 w/l. Dataset contains 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_popchydr5_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: 1000 Simulation time: 1000 ns Simulation engine: Desmond 2019-4 Temperature: 300 K
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Zenodo创建时间：
2022-06-07
