Minimisation error

From: Hua Wong (wong_at_ebgm.jussieu.fr)
Date: Thu Nov 27 2003 - 08:47:29 CST

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Is there a value I have to check especially for this kind of case?

TCL: Minimizing for 400 steps
ETITLE: TS BOND ANGLE DIHED
IMPRP ELECT VDW BOUNDARY MISC
KINETIC TOTAL TEMP TOTAL2 TOTAL3
TEMPAVG

ENERGY: 0 2685892.8098 -99999999.9999 -99999999.9999
-99999999.9999 -515429.7900 99999999.9999 0.0000
0.0000 0.0000 -99999999.9999 0.0000 -99999999.9999
-99999999.9999 0.0000

INITIAL STEP: 1e-06
GRADIENT TOLERANCE: nan

Thanks

Wong Hua

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