You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
At this line, if mass_scale is set incorrectly such that we get an empty array, we should a throw a user warning regarding mass_scale being correctly set. Something like "no heavy atoms found using default value"
The text was updated successfully, but these errors were encountered:
grits/grits/coarsegrain.py
Line 744 in 62b7d93
At this line, if mass_scale is set incorrectly such that we get an empty array, we should a throw a user warning regarding mass_scale being correctly set. Something like "no heavy atoms found using default value"
The text was updated successfully, but these errors were encountered: