MD simulation of POPC bilayer with OPLS3e force field. 10 w/l.
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MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS3e force field. 10 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_popchydr10_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: 2000 Simulation time: 500 ns Simulation engine: Desmond 2019-4 Temperature: 300 K In contrast to previous version, this version contains gromacs format trajectory file .xtc with corrected time steps.
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Zenodo创建时间：
2022-05-24
