[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

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