[AMBER] rdf cpptraj.

From: Saman Yousuf ali <saman.yousufali64.yahoo.com>
Date: Tue, 3 May 2016 09:37:48 +0000 (UTC)

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.
 Best Regards, Saman Yousuf Ali

AMBER mailing list

(image/png attachment: rdf.png)

Received on Tue May 03 2016 - 03:00:04 PDT
Custom Search