Dear Dr. Edward d'Auvergne,
Thank you very much for answers. I have read the manual of relax and checked
the mf_multimodel.py.
I have changed the mf_multimodel.py into a new version according to my data,
and have tried to run it in scripts mode in Relax.
I started relax script mode by clicking the relax.py, and type
mf_multimodel, but Relax did not perform calculations, and a error window
came up:
mf_multimodel.py
Traceback (most recent call last):
File "<input>", line 1, in <module>
NameError: name 'mf_multimodel' is not defined
Attached please find the new mf_multimodel.py
I do not know how to start the calcultioin by mf_multimodel so that the part
of model free analysis can be performed. Perhaps something is wrong in the
new mf_multimodel.py.
Also I I have submitted it as a bug report.
Thank you very much.
With best regards,
Mengjun Xue
Quoting Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
Hi Mengjun,
For your bug report at https://gna.org/bugs/?20173, I have changed the
title. It would be better if you chose a title which allows other
users looking at https://gna.org/bugs/index.php to instantly
understand what and where the bug is. In this case, the bug is simply
because the diffusion tensor has not been set up. I would suggest
looking at the sample script
sample_scripts/model_free/mf_multimodel.py to see how to perform part
of a model-free analysis in the GUI without using the auto-analyses
(note this is only a tiny part, please read the model-free chapter of
the user manual for the explanation why this is only 1/3 of one
iteration of up to 20 iterations).
I have eliminated the bug by having relax throw a RelaxError saying
that the diffusion tensor is not set up yet.
Cheers,
Edward
Re: [bug #20173] bugs in Relax