MD simulation of POPC bilayer with CHARMM36 force field. 12 w/l.
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下载链接：
https://zenodo.org/record/10908935
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资源简介：
MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with CHARMM36 force field. 12 w/l.
Dataset contains simulation files including trajectories (.xtc) (original production.xtc, and equilibrated and centered ).
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 2400
Simulation time: 500 ns
Sampling rate: every 10 ps
Simulation engine: GROMACS 2022.4
Temperature: 300 K
创建时间：
2024-04-05
