Re: [AMBER] help in analysis

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 6 Aug 2014 08:55:05 -0600

Hi,

CPPTRAJ can calculate radial distribution functions (see the 'radial'
command) among many, many other types of analyses (RMSD, distances,
hydrogen bonds, clustering etc etc). Tutorials for CPPTRAJ are in the
works and should be available soon. In the meantime if you have issues
with specific analyses let me know.

Hope this helps,

-Dan


On Wed, Aug 6, 2014 at 3:44 AM, Robin Jain <robinjain.chem.gmail.com> wrote:
> Dear amber users,
> i am simulating 500 methanol molecule in a box using AMBER. now i
> want to calculate angle distribution function, spatial distribution
> function and many other analysis. Is anyone will help me in this
> regard.
>
> Thanking You.
> --
> Robin Jain
>
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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 Wed Aug 06 2014 - 08:00:04 PDT
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