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

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MD simulation trajectory and related files for POPC bilayer, A.L.Rabinovich, A.P.Lyubartsev, Journal of Physics: Conference series, 510, 012022 (2014) 20 ns( excluded) + 80 ns trajectory T=303K, 128 lipids + 3840 H2O Force field: from Högberg et al, J.Comp.Chem., 29, 2359 (2008) Software: MDynaMix v 5.2 Relevant files: md.input : main MD input file 160181_pc.mmol : lipid topology/force field file H2O.mmol : SPC water ord_160181.in : Input for the analysis utility to extract order parameters Trajectory: 160181_pc_mem.102 - 160181_pc_mem.501 - trajectory files, 200 frames / 200 ps in each

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2020-01-24
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