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