> I know that Open Babel already has several charge models, but none are
> documented currently, and so I have no clue what to do with them except
> calculate the values and write them out.
That's probably a matter for me to improve the documentation.
Generally people assign charges for force
Hi Mohammad,
Just to take a step back, could you describe how users of Open Babel will
benefit from this? That is, what they might use these charges for? I know
that Open Babel already has several charge models, but none are documented
currently, and so I have no clue what to do with them except
