MD simulation trajectory for Heterogenous lipid bilayer with 150mM CaCl2 concentration

Zenodo (CERN European Organization for Nuclear Research)

Abstract

Equilibrated symmetric heterogenous lipid bilayer simulation ran with Gromacs 2020.4, Force field= Charmm36m, 300ns, T=300K, composed of 152 POPC, 96 POPE, 20 POPS, 80 CHOL, 36 PSM, and 16 GM1 molecules, 73 Ca2+, 110 Cl2- , 18915 water (TIP3P) molecules.

Authors 1

1. Suman Samantray corresponding Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University, Germany