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MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 1

Authors: Milla Lindström;

MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 1

Abstract

MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 1 Dataset contains trajectories (_trj) for the first 500ns of the 1000ns trajectory, topology (-out.cms) and 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_nacl200_x-xns.tar.gz) Dataset also contains Gromacs converted files (.xtc, .gro and .top). Converted trajectory is also for the first 500 ns of 1000 ns trajectory System: POPC bilayer in water Number of lipids: 200 (100/leaflet) Number of waters: 8880 Concentration: 200 mM Number of cations: 32 Simulation time: 1000 ns (in this dataset 0-500ns) Simulation engine: Desmond 2019-4 Temperature: 300 K Related dataset: MD simulation of POPC bilayer with OPLS3e force field, 200 mM NaCl part 2 In contrast to previous version, this version contains gromacs format trajectory file .xtc with corrected time steps.

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citations
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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