MD simulation of POPC bilayer with OPLS3e force field. 20 w/l.
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下载链接：
https://zenodo.org/record/6345185
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资源简介：
MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS3e force field. 20 w/l.
In contrast to previous version, this version contains gromacs format trajectory file popchydr20_10-500ns_step10ps.xtc with corrected time steps.
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 100ns pieces and tarred (named desmond_md_popchydr20_x-xns_.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: 4000
Simulation time: 500 ns
Simulation engine: Desmond 2019-4
Temperature: 300 K
创建时间：
2024-01-19
