Dear Sir:
I would like to ask about determination of atomic charges from ab
initio electrostatic potentials: For example, in CHELP, CHELPG, and Merz
and Kollman, various points were normally putted at the van der Waals
contact region surrounding the molecule ?
Thank you.
Masao Masamura
Preventive Dentistry
Okayama University Dental School
Shikata-cho, 2-5-1
Okayama 700
Japan
FAX: 81-86-235-6714
e-mail: ep7 $#at#$ dent.okayama-u.ac.jp