ESP 'version' of AMPAC ??
for a while now I have been using a version of MOPAC 6.0
which allows the fitting of atom-centered point-charges to
the calculated molecular electrostatic potential. If I
remember correctly, it originated from Brent Besler (sorry
if I have acknowledged the wrong person...).
In light of recent postings about AMSOL (vs MOSOL), can someone
tell me whether there is an AMPAC version which allows ESP-fitting
of point charges?
PS What are the pros and cons of AMPAC vs MOPAC?? (That should
generate some friendly discussion ;-)