error : atom moving too fast

From: ipsita basu (ibasu788_at_gmail.com)
Date: Wed May 05 2010 - 01:10:33 CDT

Hi all,
         I have been getting an error during the heating after 50000
steps of minimization. The error is like this :

ENERGY: 50080 6900.3852 6903.3658 3540.2068
50.1815 -133358.2452 13139.9822 18.9646 0.0000
  12009.7203 -90795.4389 104.3929 -89735.2082
-89012.8941 102.7365 3460.7576 1431.2232
516713.1384 1440.3727 1949.4518

ERROR: Atom 568 velocity is 24014.9 41973.4 26943.1 (limit is 5000)
ERROR: Atom 574 velocity is -23402.1 -44094 -37182.6 (limit is 5000)
ERROR: Atom 576 velocity is -461.405 -5353.41 1739.84 (limit is 5000)
ERROR: Atoms moving too fast; simulation has become unstable.
ERROR: Exiting prematurely.

I have peptide-bilayer system, and I check the pbc condition which is allright.
 I would like to know if anyone knows how to solve this problem as I
really need it. I am attaching herewith the input file.

-- 
Ipsita Basu
Research Fellow
c/o : Dr. Chaitali Mukhopadhyay
Rajabazar Science College
92 APC Road
Kolkata - 700009

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