Re: errors in mf-multimodel.py with Monte Carlo simulations -- December 21, 2006 - 13:04

Actually this is a real bug which has now been fixed.  This issue is
related to bug #7755 (https://gna.org/bugs/index.php?7755).  For an
identical error message, see the post by Stephen Headey
(https://gna.org/users/sjheadey) located at
https://mail.gna.org/public/relax-devel/2006-11/msg00200.html
(Message-id: 
<59ADAF5CA6A8FC4C889BD4097D912BB1072D332D@xxxxxxxxxxxxxxxxxxxxxx>).
This has also been fixed in the 1.2 line of the relax repository.
Hongyan, for more information see my response to your message located
at
https://mail.gna.org/public/relax-users/2006-12/msg00010.html
(Message-id: <1166667102.4589ed5e05167@xxxxxxxxxxxxxxxxxxx>).

Edward


On 12/21/06, Chris MacRaild <c.a.macraild@xxxxxxxxxxx> wrote:
> Hi Hongyan,
>
> I think the problem here is that you are trying to run the error
> analysis on a set of monte carlo simulations without first setting up
> and optimising the simulations. Take a look at the sample script
> model_free.py for an example of how to run the monte carlo simulations
> (the block of code near the bottom of that file, that is commented out
> by default).
>
> Chris
>
>
> On Thu, 2006-12-21 at 10:10 +0800, Hongyan Li wrote:
> > Dear relax-users,
> > When I run mf-multimodel.py without Monte Carlo simulations, relax runs 
> okay.
> > But when I incorporate Monte Carlo simulations, relax encounter problems 
> from
> > m5 as follow, while no errors for m0 to m4. Any ideas what isthe problem ?
> >
> > relax> monte_carlo.error_analysis(run='m5', prune=0.0)
> >
> > Traceback (most recent call last):
> >
> >   File "/usr/local/bin/relax", line 454, in ?
> >
> >     Relax()
> >
> >   File "/usr/local/bin/relax", line 166, in __init__
> >
> >     self.interpreter.run()
> >
> >   File "/data2/usr-local/relax-1.2.9/prompt/interpreter.py", line 213, in 
> run
> >
> >     run_script(intro=self.relax.intro_string, local=self.local,
> > script_file=self.relax.script_file, quit=1)
> >
> >   File "/data2/usr-local/relax-1.2.9/prompt/interpreter.py", line 388, in
> > run_script
> >
> >     console.interact(intro, local, script_file, quit)
> >
> >   File "/data2/usr-local/relax-1.2.9/prompt/interpreter.py", line 340, in
> > interact_script
> >
> >     execfile(script_file, local)
> >
> >   File "mf-multimodel.py", line 45, in ?
> >
> >     monte_carlo.error_analysis(name)
> >
> >   File "/data2/usr-local/relax-1.2.9/prompt/monte_carlo.py", line 145, in
> > error_analysis
> >
> >     self.__relax__.generic.monte_carlo.error_analysis(run=run, prune=prune)
> >
> >   File "/data2/usr-local/relax-1.2.9/generic_fns/monte_carlo.py", line 219, 
> in
> > error_analysis
> >
> >     Xav = Xsum / float(n)
> >
> > ZeroDivisionError: float division
> >
> >
> > Dr. Hongyan Li
> > Department of Chemistry
> > The University of Hong Kong
> > Pokfulam Road
> > Hong Kong
> >
> >
> > Dr. Hongyan Li
> > Department of Chemistry
> > The University of Hong Kong
> > Pokfulam Road
> > Hong Kong
> >
> >
> > _______________________________________________
> > relax (http://nmr-relax.com)
> >
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>
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