title: MD simulation trajectory and related files for POPC bilayer with 670mM CaCl_2 (CHARMM36, Gromacs 4.5)
author: Ollila, Samuli
description: Equilibrated POPC lipid bilayer simulation ran with Gromacs 4.5, CHARMM36, 120ns, T=303K, 72 POPC molecules, 2165 water molecules, 26 Ca molecules, 52 Cl molecules. Note! This dataset is NOT used in the NMRLipids II project (nmrlipids.blospot.fi), but the dataset http://dx.doi.org/10.5281/zenodo.35160 See also discussion in: https://github.com/NMRLipids/lipid_ionINTERACTION/issues/16