MD simulation of POPC bilayer with OPLS3e force field, 100 mM CaCl2 part 2
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MD simulation of POPC bilayer with OPLS3e force field, 100 mM CaCl<sub>2</sub> part 2 (500-1000ns) Dataset contains trajectories (_trj) for the last 500ns of the 1000ns trajectory, topology (-out.cms) and other files. For the ease of the upload, trajectory files (_trj) are divided to 100ns pieces and tarred (named desmond_md_cacl100_x-xns.tar.gz) System: POPC bilayer in water Number of lipids: 200 (100/leaflet) Number of waters: 8880 Salt: CaCl<sub>2</sub> Concentration: 100 mM Number of cations: 16 Simulation time: 1000 ns (in this dataset 500-1000ns) Simulation engine: Desmond 2019-4 Temperature: 300 K Related dataset: MD simulation of POPC bilayer with OPLS3e force field, 100 mM CaCl<sub>2</sub> part 1
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Zenodo创建时间：
2022-05-24
