AMBER Archive (2006)

Subject: Re: AMBER: dihedral angle problem

From: David A. Case (case_at_scripps.edu)
Date: Fri Dec 08 2006 - 20:10:36 CST

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

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