gradient nan

From: Hemant Kushwaha (hemant.kushwaha_at_gmail.com)
Date: Mon Feb 07 2005 - 00:17:04 CST

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Dear all,

While running NAMD simulation in gas phase we have been facing the
following problem:

Info: Entering startup phase 8 with 2374 kB of memory in use.
Info: Finished startup with 2639 kB of memory in use.
TCL: Minimizing for 100 steps
ETITLE: TS BOND ANGLE DIHED
IMPRP ELECT VDW BOUNDARY MISC
       KINETIC TOTAL TEMP TOTAL2
  TOTAL3 TEMPAVG
 
ENERGY: 0 30.0566 8.6178 -99999999.9999
0.0000 -31.6645 13.8172 0.0000
0.0000 0.0000 -99999999.9999 0.0000
-99999999.9999 -99999999.9999 0.0000
 
INITIAL STEP: 1e-06
GRADIENT TOLERANCE: nan
 
We loaded the *.pdb strututre in tinker and found no overlap in atoms.
Can anybody help us in finding out the solution to this problem.

Thanks in advance

Regards
Hemant R. Khushwaha
Arunabhiram Chutia

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