AMBER Archive (2005)

Subject: Re: AMBER: Multiple dihedral restraints (follow up)

From: David A. Case (case_at_scripps.edu)
Date: Wed Feb 02 2005 - 13:04:47 CST


On Wed, Feb 02, 2005, Joseph Fernandez wrote:

> I would like to add three dihedral restraints. Each
> point of the dihedral angle is defined by a group of
> atoms, rather than one atom. So for dihedral A-B-C-D,
> A would be a group of atoms, B would be another group
> of atoms, and so on...

This sort of restraint is not provided in Amber. Only distance restraints
can refer to "groups" of atoms, rather than individual atoms.

...dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu