[gmx-users] g(r) and <ρB>local
anna_gromacs at libero.it
anna_gromacs at libero.it
Mon Nov 28 09:34:34 CET 2011
Dear all,
I've got a question: in the equation of g(r), is <ρB>local a surface density or a volume density?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
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