[gmx-users] How is the particle density of type B computed in g_rdf ?

Grace Li fullofgrace88 at gmail.com
Thu Nov 8 22:50:55 CET 2007

Hi Gromacs users:

As described in the PDF of Gromacs documentation version 3.3.1 (pp
160-161),  with g_rdf we can compute the radial distribution function
between particles of type A and B, where A is the reference group.
I am not clear on how g_rdf computes the volume in the particle density of
type B.   The particle density of type B is represented by <ro_B>_local in
the documentation, which I understand to be  N/V, where N is the total
number of particles of type B, and V is the volume of the entire box.
Is this the case?

Any help is appreciated.


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