[gmx-users] RDF convergence

[Vitaly V. Chaban]

Mine converges.

What about box size?





On Fri, Dec 4, 2015 at 7:14 AM, Sudip Das <das.sudip37 at gmail.com> wrote:

> Hi,
>
> I am using g_rdf command (within gromacs-5.0.5) to calculate rdf as follow:
>
> g_rdf_mpi_d -f .xtc -n .ndx -o rdf -cn
>
> But the rdf is not getting converged to 1 exactly, rather it converges to
> approximately 1.03. Whenever I am calculating rdf like this for different
> sets of atoms, I am getting the same thing.
>
> Can anyone please tell me why is this happening and what is the way out?
> Any kind of help will be highly appreciated.
>
> Thanks in advanced,
>
> Sudip
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