From chemistry-request ":at:" server.ccl.net Mon Dec 13 11:21:16 1999 Received: from piimsdm9.univ-mrs.fr (piimsdm9.univ-mrs.fr [194.57.196.103]) by server.ccl.net (8.8.7/8.8.7) with SMTP id LAA03959 for ; Mon, 13 Dec 1999 11:21:12 -0500 From: olivier ":at:" piimsdm9.univ-mrs.fr Received: by piimsdm9.univ-mrs.fr (920330.SGI/920502.SGI) for chemistry #at# ccl.net id AA27631; Mon, 13 Dec 99 16:36:58 -0800 Date: Mon, 13 Dec 99 16:36:58 -0800 Message-Id: <9912140036.AA27631 #at# piimsdm9.univ-mrs.fr> To: chemistry # - at - # ccl.net Subject: 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 | | olivier Maresca | | PIIM - CNRS UMR 6633 | | Spectrometrie et Dynamique Moleculaire | | Campus Universitaire Saint Jerome | | Service 242 | | 13397 Marseille Cedex 20 - France | | | | Tel : +33 4.91.28.27.05 | | Fax : +33 4.91.63.65.10 | | olivier -A_T- piimsdm9.univ-mrs.fr | | | | http://crrmn2.univ-mrs.fr/~maurice / | / |______________________________________/