christoph.freudenberger at chemie.uni-ulm.de
Thu Oct 16 11:32:01 CEST 2003
IIRC every atom in the ref group is used as a center for calculation
of the rdf, if the -com option is omitted.
Kay Gottschalk wrote:
> Hi there,
> when I use g_rdf -com, the rdf relative to the center of mass of the
> reference group is calculated. That much I understood. When I don't use
> -com, how does the calculation go? Does it average all the rdf of the
> single atoms in the reference group?
Abt. Organische Chemie I AK Siehl - Uni Ulm -Tel: ++49-731-502-2785
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