[AMBER] radial distribution function results

From: Vijay Manickam Achari <vjrajamany.yahoo.com>
Date: Mon, 16 Sep 2013 10:25:15 +0100 (BST)

Dear Amber users,

I have been trying to calculate RDF between two atoms within lipids in lipid bilayer.
I am using the comamnd as below:

ptraj topologyFile.top << EOF

trajin  path/$system-reimage-set51.traj 
trajin  path/$system-reimage-set52.traj 
trajin  path/$system-reimage-set53.traj 
trajin  path/$system-reimage-set54.traj 
trajin  path/$system-reimage-set55.traj 

radial rdfReults.dat  0.1 10  :DDM.O22  :WAT.H1,H2

Upon running this command
I get three files with extension  *.xmgr, where the file name contains  names such as carnal, standard,  volume. And each files contains three columns. of numbers.

I am not sure why there are three files and each file contains three columns of numbers. Which file I should use to extract the values as a result.
Could anyone share some idea on this? It well be great if I could get some explanation on this.

Many thanks in advance.


Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
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Received on Mon Sep 16 2013 - 02:30:03 PDT
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