[gmx-users] RDF output has no data

[Justin Lemkul]

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

-- 

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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

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