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MD simulation of POPC bilayer with OPLS3e force field. 5 w/l.

Name: MD simulation of POPC bilayer with OPLS3e force field. 5 w/l.
Creator: Milla Lindström

Research datakeyboard_double_arrow_right Dataset 01 Jan 2022Embargo end date: 01 Jan 2022Publisher:Zenodo

Authors: Milla Lindström;

doi: 10.5281/zenodo.6345779 , 10.5281/zenodo.6618796 , 10.5281/zenodo.6345780 , 10.5281/zenodo.10184229

MD simulation of POPC bilayer with OPLS3e force field. 5 w/l.

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Abstract

MD simulation of POPC bilayer with OPLS3e force field. 5 w/l. Dataset contains trajectories (_trj), topologies (-out.cms), input files (.cfg, .msj, .cms) and other files For the ease of the upload, trajectory files (_trj) are divided to 100ns pieces and tarred (named desmond_md_popchydr5_x-xns.tar.gz) Dataset also contains Gromacs converted files (.xtc, .gro and .top) System: POPC bilayer in water Number of lipids: 200 (100/leaflet) Number of waters: 1000 Simulation time: 1000 ns Simulation engine: Desmond 2019-4 Temperature: 300 K In contrast to previous version, this version contains gromacs format trajectory file .xtc with corrected time steps.

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22 Research products, page 1 of 3

MD simulation of POPC bilayer with OPLS3e force field, 1000 mM NaCl part 1
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MD simulation of POPC bilayer with OPLS3e force field, 100 mM NaCl part 2
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MD simulation of POPC bilayer with OPLS3e force field, 200 mM CaCl2 part 2
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MD simulation of POPC bilayer with OPLS3e force field. 10 w/l.
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MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 2
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MD simulation of POPC bilayer with OPLS3e force field. Full hydration 44 w/l
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MD simulation of POPC bilayer with OPLS3e force field, 500 mM NaCl part 1
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MD simulation of POPC bilayer with OPLS3e force field, 50 mM CaCl2 part 1
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