title: NAMD Simulation of Pure POPC Membranes with CHARMM36 Force Field
author: Kav, Batuhan
description: System: POPC membrane with 72 (36 x 36) lipids Number of POPC: 72 Number of Waters: 2520 Water model: TIP3P [WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein J. Chem. Phys. 79 926 (1983)]. Force Field: CHARMM36 Simulation engine: NAMD Git-2020-02-27 for Linux-x86_64-multicore-CUDA [Phillips et al., J. Comp. Chem. 26:1781-1802 (2005)] Number of independent repeats per setup: 1. Trajectory lengths per repeat: 100 ns. Previously equilibrated for: 0 ns. Sampling rate: every 100 ps. Time integration step: 2 fs. (For further info, please see the .inp file)    