title: MD simulation of POPC bilayer with CHARMM36 force field, 500 mM CaCl2
author: Milla Lindström
description: MD simulation of POPC bilayer with CHARMM36 force field, 500 mM CaCl2 Dataset contains simulation files including centered trajectory files. For the ease of the upload, trajectory files (.xtc) are divided to 100ns pieces (Cacl500mM_x-x.xtc) System: POPC bilayer in water Number of lipids: 200 (100/leaflet) Number of waters: 8880 Salt: CaCl2 Concentration: 500 mM Number of cations: 80 Simulation time: 1000 ns Simulation engine: GROMACS 2019.5 Temperature: 300 K