gmx3 at hotmail.com
Fri Aug 8 15:36:02 CEST 2003
>Try to take the integral of the RDF (using Int 4 pi r^2 g(r) from 0 to
>the first minimum), that will give you the average number of hydrogen
>bonded water molecules.
The -cn option of g_rdf plots exactly this integral from 0 to r as a
function of r,
so you can see the number of bound water molecules as a function of the
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