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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>).&nbsp;</p> <ul> <li>Lennard jones sphere radial distribution functions (as in&nbsp;<a href="https://doi.org/10.1063/5.0053737">https://doi.org/10.1063/5.0053737</a>)&nbsp;(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&nbsp;<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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