[gmx-users] g(r) and <ρB>local
gianluca.santoni at ibs.fr
Mon Nov 28 11:15:08 CET 2011
On 11/28/11 9:34 AM, anna_gromacs at libero.it wrote:
> Dear all,
> I've got a question:
> in the equation of g(r), is <ρB>local a surface density or a volume
It seems to be a surface density. (check the dimensions of the different
> 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?
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