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 amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Dec 10 2006 - 06:07:09 PST
