[gmx-users] RDF

[David van der Spoel]

On 2010-08-03 19.37, Nisha Patel wrote:
> Hello,
>
>      I would like to understand how gromacs does RDF normalization for
> the volume and the density. I am not sure if I understand it correctly,
> but is it just that rdf multiplied by (number of frames*volume of each
> shell)/ total volume ?
>
> Thanks.
>
It is normalized such that in a condensed system the number density goes 
to 1. The total number density is part of the equation, as described in 
the manual (8.2).

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se