OpenFreeEnergy / openfe-gromacs

Gromacs-based protocols for Open Free Energy
https://openfe-gromacs.readthedocs.io/en/latest/
MIT License
1 stars 0 forks source link

Move vacuuum disallowed check to Protocol creation #40

Closed IAlibay closed 1 month ago

IAlibay commented 1 month ago

This prevents folks from finding out too late their chemicalsystems are wrong.