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

[Justin A. Lemkul]

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 
possibilities:

http://www.gromacs.org/Support/Mailing_Lists/Search

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

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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