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-

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).<br> K+ nonbonding parameters (from Dang's Cs+ from JPC B 1999, 103, 8195):<br> 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 <br> <em>BBA Biomembranes </em>2012<em>, 1818, 609-616.</em><br> DOI: 10.1016/j.bbamem.2011.11.033