Coarse-grained reactive flux plots are inconsistent

markovmodel / pyemma_tutorials

How to analyze molecular dynamics data with PyEMMA

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Coarse-grained reactive flux plots are inconsistent #87

Closed cwehmeyer closed 6 years ago

cwehmeyer commented 6 years ago

Due to an internal reshuffling of the microstate sets, we observe misplaced and mislabeled network plots when using given positions and flux coarse graining; see markovmodel/pyemma#1004.

cwehmeyer commented 6 years ago

This currently affects notebooks

[x] 05-pcca-tpt.ipynb
[x] 06-hidden-markov-state-models.ipynb

cwehmeyer commented 6 years ago

This currently affects notebooks [x] 05-pcca-tpt.ipynb [x] 06-hidden-markov-state-models.ipynb

While the problem in PyEMMA persists, it does not affect the notebook in the current setting.