[gmx-users] RDF output has no data

Venkat Reddy venkat4bt at gmail.com
Fri Apr 5 20:30:48 CEST 2013


Dear users

I have used AMBER MD package to run simulation for a solvent box. I am now
using the gromacs utility to calculate rdf as follows:

g_rdf -f file.trr -s file.pdb -n rdf.ndx -o rdf.xvg

However, I get no data in the output rdf.xvg. Since Im using specially
generated force field parameters, I do not know how to go about generating
a tpr file (in case that is the problem). The rdf.ndx file is correct for
my atom selection. Please suggest how to go about solving this.

Thank you
-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036



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