psolsson
commented
6 years ago Currently there are only correlation/relaxation function and finger_print examples for the penta-peptide case, but there all these things you mention are shown. I didn't show this for the two other systems as the choice of an experimentally measurable observable was less obvious and I wanted to avoid too much repetition.
I would like to see more interesting examples of dynamical correlation and relaxation functions. Just running through the notebook didn't show that. Maybe the user is supposed to do something, but I suggest to just plot correlation/relaxation curves and show fingerprints at least once for alanine dipeptide observables.