NAMD Simulation of Pure POPC Membranes with CHARMM36 Force Field

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