Subject: Re: CCL:G:query....Z-matrix

From: Doug Fox <[email-masked]>
Date: Wed, 19 Feb 1997 12:22:39 -0500 (EST)

Mr. Nolan,

    The simplest option is to input cartesian coordinates and let G94
generate a set of redundant internal coordinates.  It will actually use 
the set of all Metal-ring bonds rather than either the centroid or a dummy atom.
If you do want to generate a Z-matrix for some other purpose the
use of a dummy atom is the easiest to control.

Douglas J. Fox
  Director of Technical Support
  [email-masked]

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Answer 2: