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

Catch and report errors on execution #44

Open IAlibay opened 1 month ago

IAlibay commented 1 month ago

The gmx calls capture the stdout/stderr, we should check the return and output stderr if there's something.