[gmx-users] gcluster- Error: too many iterations in routine JACOBI

Justin A. Lemkul jalemkul at vt.edu
Sat Jul 9 00:05:28 CEST 2011

Eric Fiedler wrote:
> In g-cluster
> Fatal error:
> Error: too many iterations in routine JACOBI
> I don't even know where to start with this one.

There are many reasons why this may occur.  Search the list archive for 


If you're using a .pdb file as a reference instead of a .tpr file, then most 
likely the PBC routines are breaking down and hence you will need a .tpr to 
properly deal with the trajectory.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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