MD simulation of POPC bilayer with CHARMM36 force field, 100 mM CaCl2
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MD simulation of POPC bilayer with CHARMM36 force field, 100 mM CaCl<sub>2</sub> Dataset contains simulation files including centered trajectory files. For the ease of the upload, trajectory files (.xtc) are divided to 100ns pieces (Cacl100mM_x-x.xtc) 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 Simulation engine: GROMACS 2019.5 Temperature: 300 K
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Zenodo创建时间：
2022-05-25
