Issue with msmbuilder Cluster.py
Posted: Mon Feb 11, 2019 2:59 pm
When performing ala_dipeptide tutorial i had problems with ProjectInfo.yaml....i copied this file from reference folder. But when i continue with Cluster.py rmsd hybrid -d 0.045 -l 50 the following issue arise:
File "/usr/local/lib/python2.7/dist-packages/msmbuilder-2.7.dev0-py2.7-linux-x86_64.egg/msmbuilder/Trajectory.py", line 727, in load_trajectory_file
if AtomIndices != None:
ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()
File "/usr/local/lib/python2.7/dist-packages/msmbuilder-2.7.dev0-py2.7-linux-x86_64.egg/msmbuilder/Trajectory.py", line 727, in load_trajectory_file
if AtomIndices != None:
ValueError: The truth value of an array with more than one element is ambiguous. Use a.any() or a.all()