Re: error message of relax -- June 24, 2013 - 21:03

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 <edward@xxxxxxxxxxxxx> 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
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Cheers,

Edward

On 24 June 2013 20:04, Xi Huang <huangxi987412@xxxxxxxxx> 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