[gmx-users] RDF convergence

[Sudip Das]

Hi,

My box length is around 100 angstrom.

Thanks for your kind reply.

Sudip

On Mon, Dec 7, 2015 at 10:17 PM, Vitaly V. Chaban <vvchaban at gmail.com>
wrote:

> 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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