MD simulation trajectory and related files for DMPC bilayer, Högberg et al, J.Comp.Chem., 29, 2359 (2008)

<p>MD simulation trajectory and related files for DMPC bilayer, from paper: C.J.H&ouml;gberg, A.M,Nikitin, A.P.Lyubartsev, J.Comp.Chem., 29, 2359 (2008)</p> <p>25ns( excluded) + 55 ns trajectory<br /> T=303K, 98 lipids + 2700 H2O<br /> software: MDynaMix v 5.0</p> <p>Relevant files:</p> <p>md.input&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; : main MD input file</p> <p>dmpc_2008.mmol&nbsp; :&nbsp; lipid topology/force field file<br /> H2O.mmol&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; :&nbsp; SPC water</p> <p>order.in&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; : Input for the analysis utility to extract order parameters</p> <p>Trajectory files:</p> <p>dmpc_NewMod.250 - dmpc_NewMod.849</p> <p>Most of files contain 100 frames taken with 1 ps interval</p>