title: MacRog POPS simulations (versions 1 and 2) 298 K with corrected PO not OP tails
author: Thomas Piggot
description: MacRog POPS simulations (298 K, starting structure from the CHARMM-GUI) performed with 1.0 nm cut-offs, PME and a dispersion correction. Two simulations were performed with differently assigned random starting velocities. Note that unlike the original MacRog simulations, these have the correct PO and not OP tails.  