MD simulation of POPI bilayer with CHARMM36 force field

Dataset contains simulation files of MD simulation with POPI bilayer in CHARMM36 force field with neutralizing NH4+ ions System: POPI bilayer in water Number of lipids: 200 (100/leaflet) Number of waters: 10000 Salt: Neutralizing NH4+ Number of cations: 200 Simulation time: 500 ns Sampling rate: every 10 ps Simulation engine: GROMACS 2022.4 Force field: CHARMM36 (parameters as charmm-gui input files 2.11.2023) Temperature: 310 K Equilibration: 50 ns (equilibration period in the uploaded trajectory, evaluated based on area per lipid) Pre-equilibration: 2.8 ns