Molecular dynamics simulations of lipid bilayers containing POPC and POPS with the lipid17 force field and ff99 ions
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https://zenodo.org/record/1487906
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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 ff99 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
提供机构：
Zenodo
创建时间：
2018-11-14
