[MMTK] error in the execution of the example "calpha_modes.py"

Erik Torres Serrano ertorser at upv.es
Tue Apr 5 15:40:31 UTC 2011

Dear Users,

I'm having problems to run the example file "calpha_modes.py". It looks 
like a type mismatch error in the the function boundingBox of 
MMTK/Collections.py. You can find more details at the end of this message.

Hope somebody could help me.

Thanks in advance and best regards,

Erik Torres



OS            : Ubuntu Linux 10.04 (x86)
MMTK Version  : 2.7.3
Python Version: 2.6

Python, Numpy, ScientificPython and netCDF are provided by the 
distribution (ubuntu).


python NormalModes/calpha_modes.py

Error trace:

Traceback (most recent call last):
   File "calpha_modes.py", line 29, in <module>
     cutoff, nbasis = estimateCutoff(universe, nbasis)
line 140, in estimateCutoff
     p1, p2 = universe.boundingBox()
line 176, in boundingBox
     min = atoms[0].position(conf).array
TypeError: 'itertools.chain' object is unsubscriptable

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