zenodoopen
OpenFF POPE Simulation (64:64 at 310K)
<p>128 lipid bilayer (64:64) hydrated with 5120 TIP3P waters. Equilibrated for 100 ns and simulated for 200 ns at 310K. Full input and output from: https://github.com/PEFrankel/OpenFF_Bilayer.</p><p>Parameters generated by OpenFF Toolkit (Mobley et al., 2018) + Interchange (https://zenodo.org/records/8229243). Forcefield line: 'openff-2.1.0.offxml' from OpenFF Sage (Boothroyd et al., 2023 / https://zenodo.org/records/7889050)</p>
ShareScore
32/100
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
- 8
- Engagement
- 0
Dataset details
- Repository
- zenodo
- Published
- December 4, 2023
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.10265964
Scored with release 0.9.0
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