[MMTK] Loading minimizer crashes python
R.M.Maytum at kent.ac.uk
Mon Aug 11 15:58:47 EDT 2003
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()
[gives rasmol pic of 2 waters]
So far, so good. However :
>>> from MMTK.Minimization import CojugateGradientMinimizer
Then crashes python.
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 ?
Dr. Robin Maytum, Dept. Biosciences, University of Kent, Canterbury, UK
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