Hi,
The relax has an error message after finish the final global calculation
when writing result files. I have the results.bzfile but it can't output
the result values. What should I do or is there any script I can run to
extract order parameters from the results.bz file? Thanks
Below is the error message
Successfully calculated the final global model.
_______________________________________________
Creating results files
relax> pipe.create(pipe_name='Data_extraction Mon Jun 24 08:55:23 2013',
pipe_type='mf')
relax>
results.read(file='/home/fanucci/Desktop/R/A71V/new-06212013/final/results',
dir=None)
Opening the file '/home/fanucci/Desktop/R/A71V/new-06212013/final/results.bz2'
for reading.
Unhandled exception in thread started by
Traceback (most recent call last):
File "/usr/local/relax-1.3.10/gui/analyses/auto_model_free.py", line
1028, in execute_thread
results_analysis = model_free_results(self, data.save_dir,
data.structure_file)
File "/usr/local/relax-1.3.10/gui/analyses/results_analysis.py", line
158, in model_free_results
rex_eff = float(spin.rex) * (int(spin.frq_labels[1]) * 1000000 * 2 *
3.14159)**2
IndexError: list index out of range
On Mon, Jun 24, 2013 at 2:57 PM, Edward d'Auvergne <edw...@nmr-relax.com>wrote:
> Hi Xi Huang,
>
> Sorry in advance, but the following is the standard pre-composed
> response to a post not sent to the relax mailing lists and not
> labelled as private. If you would like to start a private
> conversation about relax, please label your message as such. If you
> really must start a private exchange, please respond to this message
> saying so. If your message was meant to be sent to the relax mailing
> list, please send the message again. For this, please copy-and-paste
> your message, replying to the original (i.e. no forwarding), and
> making sure that the mailing list is in the CC field by clicking on
> 'reply-to-all'.
>
> Cheers,
>
> Edward
>
>
>
> On 24 June 2013 20:04, Xi Huang <huangxi987...@gmail.com> wrote:
> > Hi Edward,
> >
> > The relax has an error message after finish the final global calculation
> > when writing result files. I have the results.bz file but it can't
> output
> > the result values. What should I do or is there any script I can run to
> > extract order parameters from the results.bz file? Thanks
> >
> > Below if the error message
> >
> >
> >
> >
> > Successfully calculated the final global model.
> > _______________________________________________
> >
> > Creating results files
> >
> >
> > relax> pipe.create(pipe_name='Data_extraction Mon Jun 24 08:55:23 2013',
> > pipe_type='mf')
> >
> > relax>
> >
> results.read(file='/home/fanucci/Desktop/R/A71V/new-06212013/final/results',
> > dir=None)
> > Opening the file
> > '/home/fanucci/Desktop/R/A71V/new-06212013/final/results.bz2' for
> reading.
> > Unhandled exception in thread started by
> > Traceback (most recent call last):
> > File "/usr/local/relax-1.3.10/gui/analyses/auto_model_free.py", line
> 1028,
> > in execute_thread
> > results_analysis = model_free_results(self, data.save_dir,
> > data.structure_file)
> > File "/usr/local/relax-1.3.10/gui/analyses/results_analysis.py", line
> 158,
> > in model_free_results
> > rex_eff = float(spin.rex) * (int(spin.frq_labels[1]) * 1000000 * 2 *
> > 3.14159)**2
> > IndexError: list index out of range
> >
> >
> >
> >
> >
> > --
> > Xi Huang
> > PhD Candidate, Division of Physical Chemistry
> > Gail E. Fanucci Research Group
> > Department of Chemistry
> > University of Florida
> >
>
--
Xi Huang
PhD Candidate, Division of Physical Chemistry
Gail E. Fanucci Research Group
Department of Chemistry
University of Florida
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