MM in G98
Dear CCL'r,
I perform MM calculations using the UFF force field in Gaussian 98.
I am studying Alumina surfaces. When i include the bending terms in
the MM calculation, an error occurs in the link402 and the program
stops, whereas when the bending terms are not included in the calculation
gaussian runs normally. Then, it seems that the error is caused by the
bending terms.
Does anybody ever encoutered the same problem with Gaussian98?
Thank you very much in advance.
Olivier Maresca
PPPPPPPP II II MM MM
PP P II II MMM MMM
PPPPPPPP II II MM M M MM
_____ PP II II MM M MM
| PP Ii II MM MM
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| olivier Maresca |
| PIIM - CNRS UMR 6633 |
| Spectrometrie et Dynamique Moleculaire |
| Campus Universitaire Saint Jerome |
| Service 242 |
| 13397 Marseille Cedex 20 - France |
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| Tel : +33 4.91.28.27.05 |
| Fax : +33 4.91.63.65.10 |
| olivier.,at,.piimsdm9.univ-mrs.fr |
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