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MD simulation of POPC bilayer with OPLS3e force field, 100 mM NaCl part 1 (0-500ns) Dataset contains trajectories (_trj) for the first 500ns of the 1000ns trajectory, 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_nacl100_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: 100 mM Number of cations: 16 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, 100 mM NaCl part 2 In contrast to previous version, this version contains gromacs format trajectory file .xtc with corrected time steps.
| selected citations These citations are derived from selected sources. 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). | 1 | |
| 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. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Average | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Average |
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