zenodoopen
POPC:POPG 4:1 MD simulation with CHARMM36 in 1 M CaCL2 solution with Na+ counterions
<p>CHARMM36 POPC:POPG 4:1 bilayer simulation in 1 M CaCl2 solution. The initial structure was taken from CHARMM-GUI. Temperature is 298 K. The system contains 350 POPC, 88 POPG, 88 sodium ions, 24927 TIP3 water molecules, 451 Ca2+ ions and 902 Cl- ions.</p> <p>Total length of simulation is 400 ns. First 100 ns were discarded as equilibration time. Saving frequency of 100-300ns.xtc is 20 ps.</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
Dataset details
- Repository
- zenodo
- Published
- August 23, 2020
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.3997036
Scored with release 0.9.0
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