Data Set For Revels-MD tutorials
<p>This small data set contains the trajectory files necessary to run the tutorials for the revelsmd (<a href="https://github.com/user200000/revelsmd">https://github.com/user200000/revelsmd</a>) the trajectories were generated using lammps (<a href="https://www.lammps.org/#gsc.tab=0">https://www.lammps.org/#gsc.tab=0</a>) and gromacs (<a href="https://www.gromacs.org/">https://www.gromacs.org/</a>). </p> <ul> <li>Lennard jones sphere radial distribution functions (as in <a href="https://doi.org/10.1063/5.0053737">https://doi.org/10.1063/5.0053737</a>) (number 1)</li> <li>Solvation of an immobilised Lennard jones sphere in a solvent of identicle Lennard Jones spheres.(number 2)</li> <li>Solvation of a static water molecule (as in <a href="https://aip.scitation.org/doi/abs/10.1063/1.5111697">https://aip.scitation.org/doi/abs/10.1063/1.5111697</a>) (number 4)</li> </ul> <p><br> A fourth tutorial is in development</p>
ShareScore
40/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 8
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 4
Topics
Dataset details
- Repository
- zenodo
- Published
- April 3, 2023
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.7798911
Scored with release 0.9.0
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