You will have to give more details. What are you attempting to do? Can
you sends your input files?
Gustavo.
On Jun 17, 2010, at 12:05 AM, Homa Azizian wrote:
> Hi amber users,
> My jobs of simulation stop with this message in out file:
> | Local SIZE OF NONBOND LIST = 1100282
> | TOTAL SIZE OF NONBOND LIST = 35026002
> vlimit exceeded for step 0; vmax = 388.4665
> vlimit exceeded for step 1; vmax = 399.4700
> vlimit exceeded for step 2; vmax = 387.9217
> vlimit exceeded for step 3; vmax = 352.8459
> vlimit exceeded for step 4; vmax = 32817.3873
> Coordinate resetting (SHAKE) cannot be accomplished,
> deviation is too large
> NITER, NIT, LL, I and J are : 0 3 302 606 607
> Note: This is usually a symptom of some deeper
> problem with the energetics of the system.
>
> I could not undrestad what happen to my system.
> Thank you very much for replying.
> Homa
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Received on Wed Jun 16 2010 - 20:30:04 PDT
