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.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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