Support OpenFF's LibraryCharges
martimunicoy opened this issue · 0 comments
martimunicoy commented
Description
Currently, we obtain partial charges with antechamber. As far as I know, in the future the OpenFF Toolkit will has its own library for partial charges. They have already built some examples like the tip3p.offxml forcefield for water where there is an example of the LibraryCharges usage.
Solution
When parameterizing with OpenFF the default option to get partial charges should be their own LibraryCharges (at least, once they fully support the feature).