title: Simulations of POPC lipid bilayer in water solution at various NaCl and CaCl2 concentrations using ECC-POPC force field and various water models
author: Melcr, Josef
description: Classical molecular dynamics simulations of a POPC lipid bilayer in water solution at various NaCl and CaCl2 concentrations using ECC-POPC force field parameters, various water models and ECC-ions. Simulations with SPC/E water model are in a separate Zenodo deposit https://doi.org/10.5281/zenodo.1118266 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)