zenodoopen
Input files and dataset for CD3CN+F Reaction sampling in CHARMM
<p>The input files and resulting trajectory data for the CD3CN application described in:</p> <p><a href="https://pubs.rsc.org/en/content/articlelanding/2016/fd/c6fd00138f#!divAbstract">Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics</a>, by O'Connor et al.</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
- 0
- Engagement
- 8