[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

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