Make `offline-freq` be the same as `checkpoint_interval` by default

choderalab / perses

Experiments with expanded ensembles to explore chemical space

http://perses.readthedocs.io

MIT License

181 stars 51 forks source link

Make `offline-freq` be the same as `checkpoint_interval` by default #1220

Closed jthorton closed 1 year ago

jthorton commented 1 year ago

If not specified in the template file it might be good to make offline-freq default to being the same as the checkpoint_interval instead of 10 as this will cause an error in openmmtools if checkpoint_interval is larger than 10 which most of the time it is.

ijpulidos commented 1 year ago

closing via #1227 (for some reason it wasn't closed automatically when the PR was merged).