MD simulation of POPC bilayer with CHARMM36 force field, 500 mM CaCl2
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下载链接：
https://zenodo.org/record/6339897
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资源简介：
MD simulation of POPC bilayer with CHARMM36 force field, 500 mM CaCl2
Dataset contains simulation files including centered trajectory files. For the ease of the upload, trajectory files (.xtc) are divided to 100ns pieces (Cacl500mM_x-x.xtc)
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8880
Salt: CaCl2
Concentration: 500 mM
Number of cations: 80
Simulation time: 1000 ns
Simulation engine: GROMACS 2019.5
Temperature: 300 K
创建时间：
2022-05-25
