AMBER Archive (2006)

Subject: Re: AMBER: center of mass dihedral restraints

From: Carlos Simmerling (carlos_at_csb.sunysb.edu)
Date: Mon Sep 25 2006 - 06:43:49 CDT

Lauren,
we have some code that we've just developed for this and it's not
yet user-friendly. It might work for you, but it depends a bit
on how big your groups are, etc. Can you give me any info
on what you need to do?
carlos

Lauren O'Neil wrote:

> A quick question:
>
> Is it possible to setup a center of mass dihedral restraint in amber?
> I know that this can be done for distances. I searched the archive of
> the reflector and there was an unanswered message from 2002 on this
> topic.
> Thanks for the help...
>
> Lauren O'Neil
> University of Notre Dame
> Notre Dame, IN
>
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