AMBER Archive (2004)

Subject: Re: AMBER: restrainted torsion

From: David A. Case (case_at_scripps.edu)
Date: Thu Dec 02 2004 - 13:12:19 CST

On Thu, Dec 02, 2004, tang kwa wrote:
>
> I have a quesiton about the restrained the torsion
> angle. I would like to restrain the center of mass of
> the residue as one atom. I cannot give the 'iat(3)<0'
> because it will be distance restrained. How can I
> define the COM for the torsion angle restrained?
>

I don't think there is any support in the current code for what you are
trying to do.

...dac
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