Published August 19, 2019 | Version v1
Journal article Open

PC/PS 5:1 bilayer, Na contraions, additional CaCl_2, CHARMM36 FF, NBFIX-Han

Authors/Creators

Description

Systems of 250 POPC and 50 POPS lipids in water solutions with 50 sodium contra ions and 0, 140, 940 mM additional calcium chloride. Simulations were run with CHARMM36 force field with NBFIX for calcium ions (http://dx.doi.org/10.1021/acs.jpcb.7b10730). 320K, 1bar.

Gromacs version 2018.6

 

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