[gmx-users] Counting particles in a particular region

Oliver Beckstein oliver at biop.ox.ac.uk
Thu May 5 14:29:30 CEST 2005

> Dear sir : I am GMX user . I need your tool "g_occupancy"to calculate
> water number in certain region. Thank you in advance!

I'm not entirely sure what you want to count, and in which region, but you
could try some of the following:

- ask David Bostick for g_occupancy.c (or perhaps he had already posted
   the code here or on the contributions page?)

- trjorder

- try to compile my g_count
(less general than g_occupancy)

- try to compile my gridcounter (for 3D densities, see
http://sansom.biop.ox.ac.uk/oliver/software/#gridcount )

(Please take note of the remarks in
http://sansom.biop.ox.ac.uk/oliver/download/Gromacs/ with respect to
disclaimers, licensing, compiling and reporting bugs)


Oliver Beckstein * oliver at biop.ox.ac.uk

More information about the gromacs.org_gmx-users mailing list