Pure POPC membrane simulations using Amber Lipid 14 Force Field

Pure POPC membrane simulations using the Amber Lipid 14 force field. <pre>@article{dickson2014lipid14, title={Lipid14: the amber lipid force field}, author={Dickson, Callum J and Madej, Benjamin D and Skjevik, {\AA}ge A and Betz, Robin M and Teigen, Knut and Gould, Ian R and Walker, Ross C}, journal={Journal of chemical theory and computation}, volume={10}, number={2}, pages={865--879}, year={2014}, publisher={ACS Publications} }</pre> The trajectories are centered such that the center of mass of the lipid tails are at the origin. <strong>Please check the imaging again to make sure that there are no problems. </strong> <strong>The trajectories do not contain water molecules.</strong> Simulation Details: Lipids : 72 POPC lipids, 36 per leaflet Water: 9560 TIP3P water molecules (<strong>water coordinates are not saved</strong>) Temperature: 303 K Pressure: 1 bar Thermostat: Langevin Barostat: Berendsen Pressure coupling: Semi-isotropic Trajectory Length: 100 ns (after 100 ns pre-equilibration) Saving frequency: 100 ps Further details are available at the 04_Run.in file All trajectories started from the same structure but equilibriated for 100 ns independently (using 03_Hold.in)