AMBER Archive (2000)

Subject: Re: H-bond angles

From: Cui Guanglei (gcui_at_ic.sunysb.edu)
Date: Wed Mar 08 2000 - 14:56:29 CST

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