[gmx-users] RDF output has no data
jalemkul at vt.edu
Fri Apr 5 21:11:29 CEST 2013
On Fri, Apr 5, 2013 at 2:30 PM, Venkat Reddy <venkat4bt at 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540)
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