MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 2
收藏NIAID Data Ecosystem2026-03-13 收录
下载链接：
https://zenodo.org/record/6363523
下载链接
链接失效反馈官方服务：
资源简介：
MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 2 (500-1000ns)
Dataset contains trajectories (_trj) for the last 500ns of the 1000ns trajectory and topology (-out.cms).
For the ease of the upload, trajectory files (_trj) are divided to 100ns pieces and tarred (named desmond_md_nacl200_x-xns.tar.gz)
Dataset also contains Gromacs converted trajectory (.xtc) for the last 500 ns of 1000 ns trajectory
System: POPC bilayer in water
Number of lipids: 200 (100/leaflet)
Number of waters: 8880
Concentration: 200 mM
Number of cations: 32
Simulation time: 1000 ns (in this dataset 500-1000ns)
Simulation engine: Desmond 2019-4
Temperature: 300 K
Related dataset: MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 1
创建时间：
2022-06-07
