Error in Monte Carlo Simulations -- January 08, 2007 - 03:32

Dear Relax-users,
I am trying to use RELAX to fit my dynamic data and now I have tried the
simplest model (isotropic) to simulate the data and get a proper model for 
each
residue and I would like to do Mone Carlo Simulations like that:
monte_carlo.setup('aic', number=100)
monte_carlo.create_data('aic')
monte_carlo.initial_values('aic')
minimise('newton', run='aic')
eliminate(run='aic')
monte_carlo.error_analysis('aic')
# Write the results.
state.save('save', force=1)
results.write(run='aic', file='results', force=1)
The simulations appear finished, but error was found (as follow) and no output
results.
relax> eliminate(run='aic', function=None, args=None)

relax> monte_carlo.error_analysis(run='aic', 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 "modelfree-final.py", line 37, in ?
    monte_carlo.error_analysis('aic')
  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 236, in
error_analysis
    sd = sqrt(sd / (float(n) - 1.0))
ZeroDivisionError: float division

Any idea how to solve the problem?

Thanks!

Hongyan



Dr. Hongyan Li
Department of Chemistry
The University of Hong Kong
Pokfulam Road
Hong Kong