[MMTK] Loading minimizer crashes python

Robin Maytum R.M.Maytum at kent.ac.uk
Mon Aug 11 15:58:47 EDT 2003


Hi,

I've been trying to get MMTK to work on W2k

So far I've got a partially working system, for example the following
works ok to a point :

>>> from MMTK import *
>>> from MMTK.ForceFields import Amber94ForceField
>>> universe = InfiniteUniverse(Amber94ForceField())
>>> universe.addObject(Molecule('water', position = Vector (0.,0.,0.)))
>>> universe.addObject(Molecule('water', position = Vector (0.5,0.,0.)))
>>> print universe.energy()

3.54068967686 

>>> universe.view()

[gives rasmol pic of 2 waters]

So far, so good. However :

>>> from MMTK.Minimization import CojugateGradientMinimizer

Then crashes python.

Program Error
Pythonw.exe has generated errors and will be closed by Windows.
You need to restart the program.

Any ideas as to why loading the minimizer should crash python ?

Thanks !

Robin

Dr. Robin Maytum, Dept. Biosciences, University of Kent, Canterbury, UK



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