Hi Ed,
Model free analysis does complete after taking in all those structures. Every
single individual diffusion tensor model converges. The diffusion tensor data
in the earlier email was obtained after model free analysis was completed
using all 15 structures. I'll create a bug report regarding this.
Cheers,
Vineet
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From your log messages, you are reading multiple files into relax.
Can you complete a model-free analysis with this? If so, could you
created a bug report for this problem? What does the log message look
like when you get to the grid search or optimisation?
Cheers,
Edward
Hi Ed,
I had a look at the log files. I reckon all the models within my ensemble
are added in. Unless I've understood the logs all wrong. Following is the
excerpt from the logs related to the PDB parser..
relax> structure.read_pdb(file=relax_input.pdb', dir=None, read_mol=None,
set_mol_name='protein', read_model=None, set_model_num=None, alt_loc=None,
merge=False)
Internal relax PDB parser.
Opening the file 'relax_input.pdb' for reading.
Adding molecule 'protein' to model 1 (from the original molecule number 1
of model 1)
Adding molecule 'protein' to model 2 (from the original molecule number 1
of model 2)
Adding molecule ''protein' to model 3 (from the original molecule number 1
of model 3)
Adding molecule ''protein' to model 4 (from the original molecule number 1
of model 4)
Adding molecule 'protein' to model 5 (from the original molecule number 1
of model 5)
Adding molecule ''protein' to model 6 (from the original molecule number 1
of model 6)
Adding molecule ''protein' to model 7 (from the original molecule number 1
of model 7)
Adding molecule 'protein' to model 8 (from the original molecule number 1
of model 8)
Adding molecule ''protein' to model 9 (from the original molecule number 1
of model 9)
Adding molecule ''protein' to model 10 (from the original molecule number 1
of model 10)
Adding molecule ''protein' to model 11 (from the original molecule number 1
of model 11)
Adding molecule ''protein' to model 12 (from the original molecule number 1
of model 12)
Adding molecule ''protein' to model 13 (from the original molecule number 1
of model 13)
Adding molecule ''protein' to model 14 (from the original molecule number 1
of model 14)
Adding molecule ''protein' to model 15 (from the original molecule number 1
of model 15)
Regards,
Vineet
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