On Thu, Jul 7, 2016 at 4:05 AM, ATUL KUMAR <atul44_sit.jnu.ac.in> wrote:
> Dear amber user, I am doing GIST calculation and t is taking to much of
> computational time. I tryied to search in in manual for any parallel
> version of GIST available but didn't find any. My question, is there any
> way to run GIST calculations in parallel.
Not with anything in Amber at the current time. It may be enabled in a
future version of cpptraj.
-Dan
>
> Thank You
> *Atul Kuamr jaiswal*
> Research Scholar
> School of Computational and Integrative Sciences
> Centre for Computational Biology and Bioinformatics (CCBB)
> JNU,New Delhi
> India.
> _______________________________________________
> 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 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 Thu Jul 07 2016 - 08:30:03 PDT
