[Feature] Avoid overriding results and default soft nonbonded energy

Degiacomi-Lab / molearn

protein conformational spaces meet machine learning

https://degiacomi.org/software/molearn/

GNU General Public License v3.0

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Closed SCMusson closed 10 months ago

SCMusson commented 10 months ago

Appending version numbers if checkpoint and logs if files already exist.

Soft nonbonded energy by default.