Open maxentile opened 7 years ago
Is this related to this: https://github.com/choderalab/msm-pipeline/issues/36 ?
Sorry I missed replying! Yes, this is the most reasonable check I could think of for Issue 36.
Another possibility I considered after discussing this with @marscher last week is that the indices
returned by hmm.sample_by_observation_probabilities
are somehow mismatched with the dtraj
lengths. However, I think this is unlikely. I think this is tested internally in pyemma
/ bhmm
, and I also did a randomized test that should be very likely to fail if this is the culprit. We could add a runtime check here to be sure.
I would then conclude that the trajectory length is wrong. Can you send me the ~/.pyemma folder of the system running the analysis as a zip please? However this also very unlikely.
@sonyahanson @maxentile ?
Sent the files to Martin, and we are currently sending some files back and forth via email to see what we can figure out.
From Martin:
Thank you Sonya, with the aid of these files, we were able to track down the problem. Expect a new release soon.
Looks like this is here: https://github.com/markovmodel/PyEMMA/pull/969
Awesome! Thanks for moving this along.
I think you can safely close this now.
source_full
object (I had added that before I realized thatsave_trajs
writes out all coordinates, even if passedsource
object that only looks at a subset of coordinates while featurizing)