title: Molecular dynamics simulations of lipid bilayers containing POPC and POPS with the lipid17 force field and ff99 ions
author: Melcr, Josef
description: 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