From chemistry-request@ccl.net Mon Feb 10 22:34:35 1992 Date: Tue, 11 Feb 1992 14:12:54 +1100 From: apa@ccadfa.cc.adfa.oz.au (Alan P Arnold) To: chemistry@ccl.net Subject: ESP 'version' of AMPAC ?? Status: R Dear colleagues, 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 ;-) .