Re: AMBER: dihedral angle problem

From: David A. Case <>
Date: Fri, 8 Dec 2006 18:10:36 -0800

On Fri, Dec 08, 2006, Esther Brugger wrote:

> I question is how to correct to calculate the dihedral angle of E-F-a-b and a-b-C-D.
> Since E-F and C-D in the deffrent side of a-b, is it possible to describe it by the
> negative and positive dihedral angle?
> E-F
> -a-b
> -C-D

By construction, dihedral angles depend upon four points. So you could compute F-a-b-C,
E-a-b-D, etc, depending on what you want. No single angle can capture all of the
relative possibilities for 6 atoms.

...hope this helps...dac

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Dec 10 2006 - 06:07:09 PST
Custom Search