Hi,
I am also facing problems with the ccpnGrid. However, probably a slightly different problem.
I can submit my project to the ccpnGrid server, but the calculation breaks down after the 8 iterations. With this error:
MESSAGE [Protocol]: CCPN export: PDB files exported.
MESSAGE [Protocol]: CCPN export: Creating new constraint set.
MESSAGE [Protocol]: CCPN export: NOE restraint list exported.
ERROR in ccp.nmr.NmrConstraint.DistanceConstraint.__init__
WARNING Error in clean-up of incorrectly created object.
Data may be left in an illegal state
Traceback (most recent call last):
The obscure ting is, that I have calculated initially structure models without including aroNOESY data.
When I include these data, to orient the aromatics properly, the ccpnGrid server always breakdown.
Anyone had similar with including aroNOESY problems?
Best regards,
Kim
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