POPC_AMBER_LIPID14_NaCl_1Mol

2018-05-29T00:09:37Z (GMT) by Girych Mykhailo Ollila O. H. Samuli

MD simulation trajectory and related files for fully hydrated POPC bilayer with 1M NaCl. The LIPID14 force field was used with Gromacs 5.0.3. Ions were described by AMBER99SB-ILDN force field. Conditions: T=298.15, 128 POPC molecules, 5120 tip3p waters, 77 Na, 77 Cl. 200ns trajectory  (preceded by 5ns NPT equillibration) (2 files of 100ns).

This data is ran for the nmrlipids.blospot.fi project. More details from nmrlipids.blospot.fi and https://github.com/NMRLipids/nmrlipids.blogspot.fi

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GPL 3.0+