title: MD simulation trajectory of a POPC/POPS (4:1) bilayer with 1M CsCl, Berger force field for lipids, Dang's for Cs+ and ffgmx for Cl-
author: Cwiklik, Lukasz
description: MD simulation trajectory of a POPC/POPS (4:1) bilayer with 1M CsCl (102 POPC, 26 POPS, 4290 WAT, 106 Cs+, 80 Cl-). Additional Cs+ cations added to neutralize the negative charge of POPS. Berger force field for lipids, Dang's for Cs+ (), ffgmx for Cl- are employed. Gromacs 4.0.7, T=310K, 200 ns trajectories were calculated with the last 50 ns stored here). K+ nonbonding parameters (from Dang's Cs+ from JPC B 1999, 103, 8195): sig=0.383086, eps=0.41840 Used in: P. Jurkiewicz, L. Cwiklik, A. Vojtiskova, P. Jungwirth, M. Hof, Structure, Dynamics, and Hydration of POPC/POPS Bilayers Suspended in NaCl, KCl, and CsCl  BBA Biomembranes 2012, 1818, 609-616. DOI: 10.1016/j.bbamem.2011.11.033