AMBER Archive (2002)

Subject: what are "end group interactions"?

From: C. Klein (cklein_at_pharma.anbi.ethz.ch)
Date: Mon Oct 07 2002 - 03:43:00 CDT


Hello,

in the amber topology file specification, there is a note saying that
"end group interactions" are ignored for dihedrals in some cases. What
exactly are "end group interactions"?

Best regards,

Chris Klein

-- 
Dr. C. Klein; cklein(at)pharma.anbi.ethz.ch
Dept. of Applied Biosciences, Pharmaceutical Chemistry
Swiss Federal Institute of Technology / ETH Zuerich
Winterthurerstr. 190
CH-8057 Zuerich
Phone: +41 1 6356062
FAX  : +41 1 6356884