Simulation Files For Popc Lipid Membrane With Slipids-Vis Force Field For Gromacs Md Simulation Engine

The tar.gz archive contains simulation input files that were used in the publication Transmembrane potential modeling: Comparison between methods of constant electric field and ion imbalance. http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b01202 The files are meant to be used with <strong>Gromacs</strong> simulation package (gromacs.org). A modified Slipids force field, <strong>Slipids-VIS</strong>, is introduced. It uses Virtual Interaction sites in order to speed up simulation. The technique is described in the aforementioned work. The archive contains working topology for <strong>POPC</strong> lipid molecules and 6fs timestep without any significant loss of accuracy.