[MMTK] Monte Carlo simulation

Shirley Siu siu at mpi-sb.mpg.de
Thu Feb 24 18:27:35 CET 2005


Hi :)

Does anyone try using MMTK for Monte Carlo simulation? Since I don't find
any Monte Carlo built-in in MMTK, I suppose I will have to program it.
I read the example "backbone.py", I am not quite sure about this line in
the loop:
 conf = conf + gaussian(0., 0.5)*modes[j]

1. you generate a random value using gaussian()
2. scale all the modes with different random value?
3. add up all the changes

in this case, the new configuration is a multiple changes of the
original configuration. (not sure if i am correct?)

however, if I only want to make one change in the configuration (change
one bond, e.g.), what is the proper way of doing it?

Thanks.

Siu





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