Monte Carlo problem with model-free.py and relax1.3.3 -- April 28, 2009 - 09:56

Hi,

I recently installed relax-1.3.3 from source on a RH9. The sample script
model-free.py runs nicely without monte carlo error estimaton. When the
monte carlo step is included, I get the following error:

Traceback (most recent call last):
  File "/usr/local/bin/relax", line 422, in ?
    Relax()
  File "/usr/local/bin/relax", line 131, in __init__
    self.interpreter.run(self.script_file)
  File "/usr/local/relax/prompt/interpreter.py", line 270, in run
    return run_script(intro=self.__intro_string, local=self.local,
script_file=script_file, quit=self.__quit_flag,
show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
  File "/usr/local/relax/prompt/interpreter.py", line 531, in run_script
    return console.interact(intro, local, script_file, quit,
show_script=show_script, raise_relax_error=raise_relax_error)
  File "/usr/local/relax/prompt/interpreter.py", line 427, in
interact_script
    execfile(script_file, local)
  File "model-free.py", line 78, in ?
    monte_carlo.initial_values()
  File "/usr/local/relax/prompt/monte_carlo.py", line 165, in initial_values
    monte_carlo.initial_values()
  File "/usr/local/relax/generic_fns/monte_carlo.py", line 269, in
initial_values
    init_sim_values()
  File "/usr/local/relax/specific_fns/model_free/main.py", line 2938, in
sim_init_values
    object = getattr(cdp, object_name)
AttributeError: 'PipeContainer' object has no attribute 'chi2'

The chi2 is properly calculated during the first minimization before MC, and
dumped in the results file. I get this error message with the test data
(noe.500.out, r1.500.out, etc.) too.

Thanks!

Tamas

 


=====================================
Tamas Martinek, PhD
associate professor
Institute of Pharmaceutical Chemistry
University of Szeged
6720 Szeged Eotvos u. 6, Hungary
phone: +36 62 545768
fax:   +36 62 545705 
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