Re: cgmd stability

From: wang (c00jsw00_at_nchc.org.tw)
Date: Mon Feb 23 2009 - 23:49:47 CST

Dear Peter ,
I tried the time step (5 fs , 4 fs .....1 fs) and the error message
still appeared .
--------------------------------------------------------------------------------------
ENERGY: 2000 1007.9480 994.1360 2070.1208 0.0000
         0.0000 15480610.9536 0.0000 0.0000 23430.1580
  15508113.3163 311.0564 15588509.6282 15287023.4586 311.0564
   1761774.9487 1761774.9487 2744000.0000 1761774.9487 1761774.9487

ERROR: Atom 18483 velocity is 594097 1.44783e+06 2.65815e+06 (limit is 5000)
ERROR: Atom 18529 velocity is -593137 -1.44994e+06 -2.65792e+06 (limit
is 5000)
ERROR: Atoms moving too fast; simulation has become unstable.
FATAL ERROR: Bad global exclusion count!

FATAL ERROR: See http://www.ks.uiuc.edu/Research/namd/bugreport.html
--------------------------------------------------------------------------------------------

Y.T Wang

Peter Freddolino ??:
> Please don't send such large attachments to an entire email list, and
> certainly not as plain text.
>
> For your problem, what timestep and exclude settings are you using?
>
> Peter
>
>
>
>


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