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
Errors of the 'final' Mode of Model Free Analysis