MD simulation of POPC bilayer with OPLS4 force field. Full hydration
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MD simulation of POPC bilayer with OPLS4 force field. Full hydration 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 3 pieces and tarred (named desmond_md_popc_fullhydr_opls4_x-xns.tar.gz) System: POPC bilayer in water Number of lipids: 200 (100/leaflet) Number of waters: 9000 Simulation time: 500 ns Simulation engine: Desmond 2021-3 Temperature: 300 K
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Zenodo创建时间：
2024-07-05
