On Fri, Apr 5, 2013 at 2:30 PM, Venkat Reddy <venkat...@gmail.com> wrote:
> 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. > > Blank output usually indicates the command failed, which should have been preceded by a rather obvious fatal error. If a .tpr file is required, g_rdf will tell you (again, a fatal error). -Justin -- ======================================== Justin A. Lemkul, Ph.D. Research Scientist Department of Biochemistry Virginia Tech Blacksburg, VA jalemkul[at]vt.edu | (540) 231-9080http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin ======================================== -- 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
