MD simulation of POPC bilayer with OPLS4 force field. 10 w/l.
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下载链接：
https://zenodo.org/record/10930797
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资源简介：
MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS4 force field. 10 w/l
Dataset contains original desmond trajectories (_trj), topologies (-out.cms), input files (.cfg, .msj, .cms), and other files
For the ease of the upload, trajectory files (_trj) are divided to 250ns pieces and tarred (named desmond_md_popc10_opls4_x-xns_trj.tar.gz)
Dataset also contains Gromacs converted files (.xtc, .gro and .top)
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 2000
Simulation time: 500 ns
Simulation engine: Desmond 2022-2
Temperature: 300 K
创建时间：
2024-04-22
