MD simulation of POPC bilayer with OPLS3e force field. Full hydration 44 w/l
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下载链接：
https://zenodo.org/record/6342806
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资源简介：
MD simulation of POPC (1-palmitoyl-2-oleoyl-phosphatidylcholine) bilayer with OPLS3e force field. Full hydration 44 w/l.
Dataset contains trajectories (_trj), topologies (-out.cms) and 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 popc44_x-xns_trj.tar.gz)
Gromacs converted files are also included: popchydr44_0-500ns.xtc, desmond_md_popc200lip500ns-in_converted.gro desmond_md_popc200lip500ns-in_converted.top
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8859
Simulation engine: Desmond 2019-4
(This version includes fixed time stamps in converted .xtc file)
创建时间：
2024-01-19
