msmbuilder / msmbuilder-legacy

Legacy release of MSMBuilder
http://msmbuilder.org
GNU General Public License v2.0
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Bug in BACE_Coarse_Graining.py? #446

Open rosmarin opened 9 years ago

rosmarin commented 9 years ago

In the line 386 of this script, 'row[s] = 0', this simply changes the element the matrix c as well. It will lead to this self-transition counts missing in the merging states. I don't know whether it is a bug or it has been coded on purpose.