markovmodel / pyemma_tutorials

How to analyze molecular dynamics data with PyEMMA
Creative Commons Attribution 4.0 International
71 stars 34 forks source link

Incomplete TICA usage description in NB 00 #146

Closed cwehmeyer closed 6 years ago

cwehmeyer commented 6 years ago

The application of TICA in NB 00 is incomplete, e.g., the 95% kinetic variance cutoff mentioned in the manuscript is not stated. We need to make sure that explanations are complete both in the notebook and the manuscript.