[MMTK] MMTK temperature initialization

[Brian Chung]

I am still playing with the examples and I recently made my own alanine PDB. I am using it in substitute of the example bALA1 in the "protein in a vacuum" example. When trying to initialize universal temperature, I get an error message that i cannot make sense of:

universe.initializeVelocitiesToTemperature(50*Units.K)
print 'Temperature', universe.temperature()

Returns this:

Temperature:
Traceback.........
File..
File "usr/lib/python1.5/site-packages/MMTK/Collection.py", line 329, in temperature
ZeroDivisionError; float division

Please help.

Brian Chung


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