Re: H-bond angles

From: Cui Guanglei <gcui_at_ic.sunysb.edu>
Date: Wed 08 Mar 2000 15:56:29 -0500

the hydrogen bond angle range is from 113 to 180. this is used in
moil-view. if you look at hbonds.f you will find out. i guess different
people use different range.

-- 
Guanglei Cui
State University of New York
Department of Chemistry
Stony Brook, 11794-3400
CRAIG ANTHONY MARHEF wrote:
> 
> Dear amber users,
> I am interested in looking at H-bonding during a trajectory between a ligand
> and it's receptor.  What is the recommended max angle that should be
> considered?  Assume I am using carnal for the analysis and the angle is defined
> by H-donor-acceptor.
> 
> Also does anyone know what the value for this max angle is in Moil-View?
> 
> Craig Marhefka

Received on Wed Mar 08 2000 - 12:56:29 PST