Hi,
The 'mindist' command in the most recent version of cpptraj should do what
you want.
-Dan
On Thursday, September 26, 2013, Norah Schlacter wrote:
> Dear all,
>
> I am trying to calculate the minimum distance between two groups of
> atoms. distance command in ptraj module gives me the distance between
> the center of masses. However what i need is the shortest distance
> between the two. Is there any way i can achieve that?
>
> Thanks in advance,
> Norah
>
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--
-------------------------
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 Thu Sep 26 2013 - 16:00:02 PDT
