AMBER Archive (2000)

Subject: vdw parameter

From: Todd J. Minehardt (tjm_at_Princeton.EDU)
Date: Tue Aug 15 2000 - 11:44:50 CDT


does anyone have a way for determining the ``e'' (i.e. potenital well depth) for
vdW paramenters using the data in aqvist, JPC 94 8021 (1990)? the amber help page
FAQ contains _seriously_ erroneous information......tjm

-- 
Todd J. Minehardt (tjm_at_princeton.edu)
Department of Chemistry
Princeton University
Princeton, NJ 08544-1009
Phone: 609.258.1932
Fax: 609.258.6746