[gmx-users] Would you please help me with distribution function?
feenstra at few.vu.nl
Tue May 10 22:59:32 CEST 2005
tetyana orynchak wrote:
> Would you please help me how to go from radial distribution function
> to distribution function in x- direction? Since g_rdf calculates only
> radial distribution function g(r), is there any way to calculate distribution
> in one preferable dimension, i.e. g(x)?
> This question arises because my simulation box is not a sphere but a
> rectangle in cross-section.
Right - that is the case for most people. Perhaps you need g_density,
which IIRC can calculate density profiles across the box. In any case,
there is no problem in principle with calculating a radial (i.e.
spherical) distribution within a rectangular box - as long as the sphere
is smaller than the rectangle.
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