Subject: Oniom with g98

From: [email-masked]
Date: Sun, 16 May 99 12:52:44 -0700

Dear CCLers,
I do calculations using the QM/MM ONIOM method with g98. I want to
perform an geometry optimisation fixing some atoms of my system.
It seems that the POPT kword does not freeze some of the internal
coordinates i want. 
Does anybody knows how can i do to fix my coordinates?
Best regards, Olivier

        PPPPPPPP    II     II   MM     MM 
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| olivier Maresca                         |
| PIIM - CNRS UMR 6633                    |
| Spectrometrie et Dynamique Moleculaire  |
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