Energy minimization

From: mustapha.hamdi_at_ensi-bourges.fr
Date: Wed May 11 2005 - 12:33:01 CDT

Hi all,

Iím running energy minimizing for a complex system and am getting the
following message and the minimization process is stopped there:

nfo: NONZERO IMPRECISION IN COULOMB TABLE: 7.88861e-031 (707)
2.52435e-029 (675
)
Info: NONZERO IMPRECISION IN COULOMB TABLE: 1.65436e-024 (707)
5.29396e-023 (761
)
Info: Entering startup phase 8 with 0 kB of memory in use.
Info: Finished startup with 0 kB of memory in use.
TCL: Minimizing for 5000 steps
ETITLE: TS BOND ANGLE DIHED IMPRP
          ELECT VDW BOUNDARY MISC KINETIC
          TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG

ENERGY: 0 3807.6687 -1.#IND 1153.0669 1.#QNB
     -2845.0458 99999999.9999 0.0000 0.0000 0.0000
         1.#QNB 0.0000 1.#QNB 1.#QNB 0.0000

INITIAL STEP: 1e-006
GRADIENT TOLERANCE: 1.#QNAN

Thanks in advance,

Mustapha

-- 
Mustapha Hamdi
Laboratoire Vision et Robotique
ENSI de Bourges
10 Bd Lahitolle 18000
Bourges France.
Tel: (+33) 2 48 48 40 79
GSM: (+33) 6 24 95 39 53
Fax: (+33) 2 48 48 40 40
email:mustapha.hamdi_at_ensi-bourges.fr

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