On Tue, May 3, 2016 at 3:37 AM, Saman Yousuf ali
<saman.yousufali64.yahoo.com> wrote:
> Dear Amber Users,
> I have plotted rdf plot of my trajectories using following command;
> (radial <outfilename> <spacing> <maximum> <solvent mask1>
> [<solute mask2>] [noimage] [density <density> | volume]
> [center1 | center2 | nointramol] [<name>]
> [intrdf <file>] [rawrdf <file>] )
>
> trajin ../md_simulation_THA-comp-comb.nc
> radial THA.N27.WAT.O.agr 0.05 8.0 :THA.N27 :WAT.O noimage 0.33456 nointramol intrdf THA.N27.WAT.O.raw.agr
>
> Kindly tell me how to add integration in cpptraj rdf plot. I want to plot it like attached RDF graph.
Just use the same file name. Change 'intrdf THA.N27.WAT.O.raw.agr' to
'intrdf THA.N27.WAT.O.agr'.
-Dan
> Best Regards, Saman Yousuf Ali
>
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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 Tue May 03 2016 - 07:00:04 PDT
