On 11/28/11 9:34 AM, [email protected] wrote:
Dear all,
I've got a question:
in the equation of g(r), is <ρB>local a surface density or a volume
density
It seems to be a surface density. (check the dimensions of the different
quantities involved)
I think there is a mistake in gromacs' manual (gromacs_manual_4.5pdf
page 201): "...<ρB>local the particle density of type B averaged over
all spheres around particle A with radius rmax ..."
because if we consider <ρB>local as a volume density in (8.3)
equation, in my opinion there isn't the possibility to have g(r) -->
1 at rmax.
You can help me? I am in error?
Thanks
Anna
--
Gianluca Santoni,
Institut de Biologie Structurale
41 rue Horowitz
Grenoble
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