Re: AMBER: dihedrals

From: FyD <>
Date: Tue, 02 Oct 2007 08:36:30 +0200

Quoting Ed Pate <>:

> I am trying to model a spectroscopic probe using parm99. Looking at
> the dihedral parameters, there is one set of parameters for the atoms
> X-C-CT-X and three additional for HC-CT-C-O, both of which seem to fit
> my molecule. What rule does Amber follow for multiple possible entries?

I think first specific dihedral (such as HC-CT-C-O) if available, and
then the generic one (such as X-C-CT-X) are used.

regards, Francois

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Oct 03 2007 - 06:07:31 PDT
Custom Search