[gmx-users] g(r) and <ρB>local

[Gianluca Santoni]

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 
> 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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