mailerrors in mf-multimodel.py with Monte Carlo simulations


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Posted by Hongyan Li on December 21, 2006 - 02:36:
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




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