Error on the constraints

From: Jianping Lin (
Date: Tue Jun 05 2007 - 16:27:10 CDT

Dear All,

I am running a equilibration on a protein system with a total of 250000
atoms. I put constraints on some of the amino acids. then the simulation
will fail with error message. But if I remove the constrain, the simulation
is fine. Can someone help me this out?
Thanks a lot!


------Error message is :
Stack Traceback:
  [0] _ZN10Controller9integrateEv+0x10c [0x81a8f6c]
  [1] _ZN10Controller9algorithmEv+0x718 [0x81a4480]
  [2] _ZN10Controller9threadRunEPS_+0xc [0x81b0b64]
  [3] namd2 [0x82756a4]
  [4] Charm++ Runtime: Converse thread (qt_args+0x66 [0x82c1716])
Fatal error on PE 0> BUG ALERT: Bad global exclusion count!

BUG ALERT: NAMD has detected a bug. Please notify

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