[gmx-users] error mesage in log file

Alberto Malvezzi malvezzi at iq.usp.br
Fri Sep 9 23:02:49 CEST 2005

Dear all,

I am geting the following error mesage in my log file just before my 
system craches.
Does anyone knows what is happening?

"    Shake did not converge in 1000 steps
         i         mi         j        mj       before         after    
   should be
      2719  14.01   2720   1.01     0.10000     0.49761     0.10000
     Constraint error in algorithm Shake at step 154483 "


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