[gmx-users] Radial Distribution Function - is there symmetry?

[Dan Gil]

Thanks for the great explanation!

On Wed, Jun 22, 2016 at 5:14 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> In general it won't be. Take a  pure NaCL cubic crystal - G(r)_NaCl is the
> same as G(r)_ClNa by symmetry. Now take an identical crystal with any
> single Cl replaced by Br (or half of them, or whatever) and assume all the
> lattice dimensions remain the same. G(r)_ClNa is the same as before, but
> G_(r)_NaCl cannot be the same as before. Or try it on your favourite
> simulation trajectory :-)
>
> Mark
>
> On Wed, Jun 22, 2016 at 11:06 PM Dan Gil <dgilgmx at gmail.com> wrote:
>
> > Hi,
> >
> > I am calculating the radial distribution function, and I am wondering if
> > G(r)_jk = G(r)_kj. I always assumed that it was, and when I looked at the
> > equation it seemed to be the case. But I am having trouble finding
> sources
> > that state G(r)_jk = G(r)_kj, therefore I wanted to ask for your opinion.
> >
> > Best Regards,
> >
> > Dan
> > --
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