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MD simulation of POPC bilayer with OPLS3e force field, 1000 mM NaCl part 2

<p>MD simulation of POPC bilayer with OPLS3e force field, 1000 mM NaCl part 2 (500-1000ns)</p> <p>Dataset contains trajectories (_trj) for the last 500ns of the 1000ns trajectory,&nbsp;topology (-out.cms), and other files.</p> <p>For the ease of the upload, trajectory files (_trj)&nbsp;are&nbsp;divided to 100ns pieces and&nbsp;tarred (named desmond_md_nacl1000_x-xns.tar.gz)</p> <p>System:&nbsp;POPC bilayer&nbsp;in water</p> <p>Number of lipids: 200 (100/leaflet)</p> <p>Number of waters: 8880</p> <p>Salt: NaCl</p> <p>Concentration: 1000 mM</p> <p>Number of cations: 160</p> <p>Simulation time: 1000 ns (in this dataset 500-1000ns)</p> <p>Simulation engine: Desmond 2019-4</p> <p>Temperature: 300 K</p> <p>Related dataset: MD simulation of POPC bilayer with OPLS3e force field, 1000 mM NaCl part 1</p>

ShareScore

24/100

Overall dataset sharing score

Score breakdown

These five areas show where the dataset supports — or may limit — practical reuse.

Stewardship
4
Harmonization
4
Access
16
Reuse readiness
0
Engagement
0