Hi,
You can get the coordinates for the center of mass of a group of atoms
using the 'vector' command with the 'center' keyword. See the Amber 14
manual for complete details.
-Dan
On Tue, Aug 26, 2014 at 6:30 AM, zahra khatti <zkhatti2000.yahoo.com> wrote:
> Dear amber users
>
> I used distance command for calculating the distance of the center of mass
> between ligand and receptor, since I need the coordination (x,y,z) of the center of
> mass of ligand and receptor in output file, how can I add this action to get these data?
> best regards.
>
>
>
> Z. Khatti, Ph.D student of Physical Chemistry,
> Department of Chemistry, Iran University of Science & Technology,Tehran, Iran
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--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 307
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Sep 03 2014 - 09:00:02 PDT
