Hi,
You can use the new 'nativecontacts' command in cpptraj with the
'mindist' keyword to calculate the minimum distance seen either within
a single group of atoms or between two groups of atoms. Imaging is on
by default for this command when box coordinates are present unless
the 'noimage' keyword is specified.
Hope this helps,
-Dan
PS - You can also find the maximum distance with the 'maxdist' keyword.
On Mon, Jun 2, 2014 at 8:46 AM, newamber list <newamberlist.gmail.com> wrote:
> Hi All
>
> This is an old mail regarding minimum distance between the images:
>
> http://archive.ambermd.org/200501/0024.html
>
> I am just wondering is it implemented now? I need to know the minimum
> distance between the images and I can script down to calculate for each
> pair of atoms but would be good to know if any inbuilt command can help in
> that?
>
> thanks in advance
> JIom
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> 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) 585-6208 (Fax)
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Received on Mon Jun 02 2014 - 08:00:03 PDT
