I think the problem may be that not enough iterations of the sphere,
prolate and oblate spheroids, and the ellipsoid have been carried out.
To run the script, one iteration with self.diff_model='local_tm' is
initially required. Then for the sphere, you will need to run the
script numerous times (maybe 5 or more iterations) until the script
converges. I would recommend using relax-1.2.10 as the full analysis
script will tell you when convergence has occurred. Multiple iterations
of the prolate spheroid, oblate spheroid, and ellipsoid are separately
required (possibly running the script between 10 and 15 time). Once
each of these four diffusion models have converged, then the final run
is executed. I hope this helps.
Regards,
Edward
On Tue, 2007-05-08 at 12:50 +0800, Hongyan Li wrote:
Dear Edward,
I have set sel.diff_model=local_tm, sphere, prolate, oblate and ellipsoid
and
run full_analysis.py each time to generate directory and init in each model
and
then set sel.diff_model=final to run the script again. RelaxError: No
diffusion
tensor data is loaded for the run 'final' appears and please see the
attached
file for the information appeared on the screen.
Best regards,
Hongyan
Quoting Edward d'Auvergne <edward.dauvergne@xxxxxxxxx>:
Hi,
Unfortunately I cannot determine what the problem is with this
information. Would you be able to include a few more details
including what you had run prior to this error occurring. Maybe a
number of lines printed from relax would help as well. Also if you
run relax with the '--debug' command line argument, more information
about the error will be printed and hopefully a save file which can be
attached to a bug report (https://gna.org/bugs/?group=relax) along
with the script. Any additional information would be appreciated.
Even a recursive file and directory listing could be useful in pinning
down the problem.
Cheers,
Edward
On 5/4/07, Hongyan Li <hylichem@xxxxxxxxxxxx> wrote:
Dear relax users,
when I run full-analysis.py script, I got the error message (no
diffusion
tensor
data is loaded for the run 'tensor'). I am not sure how to set tensor,
does
the
program automatically generate tensor from pdb files?
Any suggestion will be highly appreciated!
best regards,
Hongyan
Dr. Hongyan Li
Department of Chemistry
The University of Hong Kong
Pokfulam Road
Hong Kong
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Dr. Hongyan Li
Department of Chemistry
The University of Hong Kong
Pokfulam Road
Hong Kong
Re: full-analysis.py