POPC_Ulmschneider_OPLS_NaCl_015Mol

<p>MD simulation trajectory and related files for fully hydrated POPC bilayer with 0.15M NaCl. The Ulmschneider force field for POPC was used with Gromacs 5.0.3 [1,2]. Ions were described by OPLS-AA force field (Gromacs 5.0.3). Conditions: T=298.15, 128 POPC molecules, 5120 tip3p waters, 12 Na, 12 Cl. 200ns trajectory (preceded by 5ns NPT equillibration).</p> <p>This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi</p> <p>[1]&nbsp;J.P. Ulmschneider &amp; M.B. Ulmschneider, United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field, JCTC 2009, 5(7), 1803&ndash;1813</p> <p>[2]&nbsp;http://lipidbook.bioch.ox.ac.uk/package/show/id/52.html</p>