Published December 19, 2017
| Version v3
Dataset
Open
Simulations of POPC lipid bilayer in water solution at various NaCl, KCl and CaCl2 concentrations using ECC-POPC force field
Description
Classical molecular dynamics simulations of a POPC lipid bilayer in water solution at various NaCl, KCl and CaCl2 concentrations using ECC-POPC force field parameters, SPC/E water model and ECC-ions.
file names report molar fraction of cations (i.e. not bulk concentrations)
simulations performed with Gromacs 5.1.4 (*.xtc files) and openMM 7 (*.dcd files)
simulation length 300 ns
temperature 313 K (otherwise noted)
Gromacs simulation setting is in the file npt_lipid_bilayer.mdp
Files
Files
(47.8 GB)
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