title: Simulations of a POPC lipid bilayer in water solution at various NaCl and CaCl2 concentration with Lipid14, TIP3p and Dang or ECC ions
author: Melcr, Josef
description: flat POPC bilayer simulations at various NaCl and CaCl2 concentration modelled with Lipid14 force field, TIP3p water model and Dang or 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)