Subject: How to define the cartesian axes in G98 ?

From: Bosco <[email-masked]>
Date: Tue, 09 Apr 2002 10:55:21 -0300

Dear colleague

        When a z-matrix is constructed in G98 the program
creates/defines his ower cartesian system. However I need to define at
least one of the cartesian axes to coincide with a chemical bond in my
molecule (in particular the C-H bond in pyrazine). How to do that?
Please suggestions are welcome!
        Thanks in advance,

                        Bosco

--
Prof. João Bosco Paraiso da Silva

e-mail: [email-masked]
Bosco´s Homepage: www.dqf.ufpe.br/Professores/Bosco/Bosco.html

Departamento de Química Fundamental
Universidade Federal de Pernambuco
50740.250 - Recife (PE) - Brazil

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