Open ijpulidos opened 6 months ago
We need a setting to be able to choose the method to use for assigning partial charges to small molecule components.
This is in line with #33 , just making a separate issue for this feature to make it more modular when merging the changes.
We need a setting to be able to choose the method to use for assigning partial charges to small molecule components.
This is in line with #33 , just making a separate issue for this feature to make it more modular when merging the changes.