Hi,Edward: Thanks for the information you provided. I think the reason why Nicolas and I have this error message is because our local_tm model has the lowest chi 2. So the program picked up the local_tm model. However, local_tm doesn't belong to the model from (m1 ~ m9), so no specific has been selected. It is kind of weird because the chi 2 would be larger after the program fits the data with more specific diffusion model. Do you know if there is a way that I can fix this problem to run the "final" model and have my model selected.
Thanks Jing 2013/8/20 Edward d'Auvergne <[email protected]> > Hi Jing, > > Welcome to the relax mailing lists! The error you see has been > reported before by Nicolas Doucet, see the email thread at: > > http://thread.gmane.org/gmane.science.nmr.relax.user/1299 > > Unfortunately in that case the problem disappeared without the reason > being found. But I would recommend reading my message at the top of > that thread as I can only repeat what I said there - check the log > messages earlier up. Submitting a bug report would be very useful in > solving this problem, as log and other files can be attached there and > I can track and handle the issue > (https://gna.org/bugs/?func=additem&group=relax). You could also > upgrade to relax 3.0.0 as that fixes a number of bugs, though I don't > think that this issue has been resolved > (https://gna.org/forum/forum.php?forum_id=2407, > http://article.gmane.org/gmane.science.nmr.relax.announce/43). > > Regards, > > Edward > > > > > > On 20 August 2013 07:42, Jing Zhao <[email protected]> wrote: > > Hi,Edward: > > I have already used the program relax 2.2.5 to run through all diffusion > > model: Sphere, Prolate, Oblate and Ellipsoid in a uni-processor and > obtained > > the converged fitting results that passed the convergence test. However, > I > > stuck on the "final" mode because of some errors as shown below: > > > > relax> value.set(val=-0.00017199999999999998, param='csa', spin_id='@N') > > > > relax> pipe.create(pipe_name='local_tm - mf', pipe_type='mf', > bundle='mf') > > > > relax> results.read(file='results', dir='C:\\relax\\ > > Model Free Analysis\\local_tm\\aic') > > > > Opening the file 'C:\\relax\\Model Free Analysis > > \\local_tm\\aic\\results.bz2' for reading. > > > > relax> pipe.create(pipe_name='sphere - mf', pipe_type='mf', bundle='mf') > > > > relax> results.read(file='results', dir='C:\\relax\\Model Free Analysis > > \\sphere\\round_13\\opt') > > > > Opening the file 'C:\\relax\\Model Free Analysis > > \\sphere\\round_13\\opt\\results.bz2' for reading. > > > > relax> pipe.create(pipe_name='prolate – mf', pipe_type='mf', bundle='mf') > > > > relax> results.read(file='results', dir='C:\\relax\\Model Free Analysis > > \\prolate\\round_123\\opt') > > > > Opening the file 'C:\\relax\\Model FreeAnalysis > > \\prolate\\round_123\\opt\\results.bz2' for reading. > > > > relax> pipe.create(pipe_name='oblate - mf', pipe_type='mf', bundle='mf') > > > > relax> results.read(file='results', dir='C:\\relax\\ > > Model Free Analysis\\oblate\\round_14\\opt') > > > > Opening the file 'C:\\relax\\Model Free Analysis > > \\oblate\\round_14\\opt\\results.bz2' for reading. > > > > relax> pipe.create(pipe_name='ellipsoid - mf', pipe_type='mf', > bundle='mf') > > > > relax> results.read(file='results', > > dir='C:\\relax\\Model Free Analysis > > \\ellipsoid\\round_912\\opt') > > > > Opening the file 'C:\\relax\\Model Free Analysis > > \\ellipsoid\\round_912\\opt\\results.bz2' for reading. > > > > relax> model_selection(method='AIC', modsel_pipe='final - mf', > bundle='mf', > > > > pipes=['local_tm - mf ', 'sphere - mf', 'prolate - mf', > > 'oblate - mf', 'ellipsoid - mf ']) > > AIC model selection. > > > > Global model - all diffusion tensor parameters and spin specific > > model-free parameters. > > # Data pipe Num_params_(k) > > Num_data_sets_(n) Chi2 Criterion > > local_tm - mf (Mon Aug 19 22:40:08 2013) 323 696 > > > > 5983.71348 6629.71348 > > sphere - mf (Mon Aug 19 22:40:08 2013) 237 696 > > > > 6374.27910 6848.27910 > > prolate - mf (Mon Aug 19 22:40:08 2013) 232 696 > > > > 6209.77670 6673.77670 > > oblate - mf (Mon Aug 19 22:40:08 2013) 235 696 > > > > 6274.97999 6744.97999 > > ellipsoid - mf (Mon Aug 19 22:40:08 2013) 238 696 > > > > 6184.98839 6660.98839 > > The model from the data pipe 'local_tm - mf' has been selected. > > > > relax> monte_carlo.setup(number=500) > > > > relax> monte_carlo.create_data(method='back_calc') > > > > RelaxError: The specific model has not been selected or set up. > > > > Do you have any idea what is wrong in the here? > > > > Thanks > > > > Jing > > > > > > > > _______________________________________________ > > relax (http://www.nmr-relax.com) > > > > This is the relax-users mailing list > > [email protected] > > > > To unsubscribe from this list, get a password > > reminder, or change your subscription options, > > visit the list information page at > > https://mail.gna.org/listinfo/relax-users > -- *Zhao, Jing | 赵竞* Partners III, Room 363 851 Main Campus Drive Department of Chemistry, North Carolina State University. Tel : 919-720-0926
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