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Data · dataset · 2015

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

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

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Simulation 75%
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concepts[method].local:method:simulationenrichment · Zenodokeyword-concept-rules@1.0.0title+description (75%)
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