Hi Edward,
I have finished calculating all the manual modes except the final calculation using the newest version of relax. However, when I try to run the "final" to get the final results. It pops out the following error message. I have tried to reload the SpinContainer and reset csa value, the error message still exist. Could you help me figure out why? Thanks
Traceback (most recent call last):
File "/usr/local/relax-2.2.5/gui/analyses/auto_model_free.py", line 587, in execute
data, missing = self.assemble_data()
File "/usr/local/relax-2.2.5/gui/analyses/auto_model_free.py", line 415, in assemble_data
if spin.isotope in ['15N', '13C'] and (not hasattr(spin, 'csa') or spin.csa == None):
AttributeError: 'SpinContainer' object has no attribute 'isotope'
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Xi Huang
PhD Candidate, Division of Physical Chemistry
Gail E. Fanucci Research Group
Department of Chemistry
University of Florida