Pure POPC membrane simulations using Amber Lipid 14 Force Field

<p>Pure POPC membrane simulations using the Amber Lipid 14 force field.</p> <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> <p>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.&nbsp;</strong></p> <p><strong>The trajectories do not contain water molecules.</strong>&nbsp;</p> <p>Simulation Details:</p> <p>Lipids : 72 POPC lipids, 36 per leaflet</p> <p>Water: 9560 TIP3P water molecules (<strong>water coordinates are not saved</strong>)</p> <p>Temperature: 303 K</p> <p>Pressure: 1 bar</p> <p>Thermostat: Langevin</p> <p>Barostat: Berendsen</p> <p>Pressure coupling: Semi-isotropic</p> <p>Trajectory Length: 100 ns (after 100 ns pre-equilibration)</p> <p>Saving frequency: 100 ps</p> <p>Further details are available at the 04_Run.in file</p> <p>All trajectories started from the same structure but equilibriated for 100 ns independently (using 03_Hold.in)</p>