Re: [AMBER] Calculation of single atom radius of gyration

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Fri, 26 Oct 2012 15:34:40 -0600

Hi,

I replied to this a few days ago but maybe it got lost in the shuffle.

> I think you can get what
> you want by just using the distance command. For example, if your
> solute is residues 1 to 12 and you want the distance of atom NZ in
> residue 10 from the center of mass of the solute:
>
> distance :10.NZ :1-12

Hopefully this is what you're looking for.

-Dan

On Fri, Oct 26, 2012 at 3:04 PM, Amy Davenport <adavenpo.ucsd.edu> wrote:
> Ok, I see your point.
> Maybe then my question should be : is there a way to calculate the radius of gyration of a single atom with respect to the rest of the protein? Or the rest of the protein minus the amino acid that contains that atom?
> Thanks
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber



-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-9119 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 26 2012 - 15:00:02 PDT
Custom Search