Molecular dynamics simulations of lipid bilayers containing POPC and POPS with the lipid17 force field, NaCl and KCl salt concentrations
收藏NIAID Data Ecosystem2026-03-11 收录
下载链接：
https://zenodo.org/record/1487894
下载链接
链接失效反馈官方服务：
资源简介：
Classical molecular dynamics simulations of various mixtures of POPC:POPS lipid bilayers in water solution at various NaCl, KCl and CaCl2 concentrations, with Na+ counterions (and K+ counterions when noted with "_KCl" suffix).
Lipid17 force field parameters used for lipids, TIP3p water model and Dang ions.
The file names report the number of additional cations.
simulations performed with Gromacs 2018.0 (*.xtc files)
simulation length 1000 ns = 1 microsecond
temperature 298 K
Gromacs simulation setting is in the file npt_lipid_bilayer.mdp
创建时间：
2020-01-24
