I believe there is a typo in the gaff.dat file (in the AMBER8 tree).
Lines 335 and 336 are:
cd-cd 418.3 1.429 SOURCE1 740 0.0058 0.0069
cd-cd 504.0 1.371 SOURCE3 523 same as cc-cd
Perhaps the second line should be cd-cc?
Sorry if this is old news, I applied the patch-all file quite a few
months ago, but haven't checked carefully for things since.
Cheers,
Brent
__________________________________________________________________
Brent P. Krueger phone: 616 395 7629
Assistant Professor fax: 616 395 7118
Hope College
Department of Chemistry
Holland, MI 49423
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Received on Thu Jun 02 2005 - 02:53:00 PDT
