Subject: [modeller_usage] problems with randomization
From: Igor Dvortsov <>
Date: Mon, 24 Oct 2011 18:30:06 +0400
i've noticed something strange: let's try build serie of models in
model_default.py-way, but with starting_model=1 and ending_model=10. we
get 10 different models a1..a10. let's do it one more time with same
script and we get another 10 models b1..b10. they are different between
themself but coincide with previous serie, such as a1=b1..a10=b10.
i just don't understand it. each model is calculated by
automodel.single_model(), inside it method
self.randomize_initial_structure(atmsel) is called. so randomization
takes place. how it can be that these randomizations led to coinciding
results?
and the main question - how to make modeller give really random serie of
models?