Functionality to write out settings to mdp files - Githubissues

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

Functionality to write out settings to mdp files #5

Closed hannahbaumann closed 3 months ago

jameseastwood commented 3 months ago

Ready for initial round of feedback, but not final review. @IAlibay