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 -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
