Subject: six-ligands problem in tinker?

From: Jones de Andrade <[email-masked]>
Date: Tue, 6 Nov 2001 12:15:34 -0200 (BRST)

Hello all.

	I'm using the tinker package to make some calculations on some
organometalic-complexes, specially doing calculations on its structure
minimization and the normal mode analysis (for then make comparsions with
the experiment). While I was using it for trigonal and/or tetraedral-like
complexes, there was no problem. Now, I'm trying to make it work with some
octaedral complexes (d2sp3), and the programs are giving me some errors.

	The message that it gives to me is:

 READXYZ  --  Check Connection of Atom     1 to Atom     6

 TINKER is Unable to Continue; Terminating the Current Calculation

	It appears to be a problem in the molecule definition (the tests
that I have performed shows that the system arrive at this error *before*
looking into the parameters file), but I've already looked into that too
many times, and there seems to be ok. I've done that molecular input based
on the other tetraedral inputs that I have and had already been tested.

	Without any other option to think about, I decided to ask the list
for any help. I'm already thanking too much all the list for any time
spended with this question. Thanks too for any help or suggestion on this
subject.

	Without nothing more to say, except apologize for taking so much
of all's time,

			Sincerally yours,

							Jones de Andrade

        ***********************************************************
        *                      Jones de Andrade                   *
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        *  Theoretical Chemistry Group * Grupo de Quimica Teorica *
        *             http://www.iq.ufrgs.br/theochem.html        *
        *    Institute of Chemistry    *   Instituto de Quimica   *
        *                  http://www.iq.ufrgs.br/                *
        *         Universidade Federal do Rio Grande do Sul       *
        *                   http://www.ufrgs.br/                  *
        *                          Brasil                         *
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        *                 E-mail:[email-masked]             *
        *                      ICQ UIN: 17929775                  *
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        *             "We turn molecules into numbers,            *
        *               and numbers into molecules..."            *
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