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choderalab / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Migrate openmm specific settings from upstream #22

Open ijpulidos opened 7 months ago

ijpulidos commented 7 months ago

We have discussed about migrating the OpenMM specific settings such as https://github.com/OpenFreeEnergy/gufe/blob/ae96d30952a4e000fcb690443a6dbd79ec31756a/gufe/settings/models.py#L64C7-L64C13 to this project/repo.