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For the replication of the bug, I ran T019 and T020 as they were shown in the website. Only change done was adding nglview and mdanalysis on conda installation.
Initially I had thought that the problem was with the files created from T019 Talkatorial and downloaded a new files from the link of T020 talkatorial's README(MD_system.pdb, trajectory_.dcd). That also did not solve the issue.
The text was updated successfully, but these errors were encountered:
I followed the T019 and T020 talkatorials as required and there seems to be some problem with the calculation of RMSD.
Problem
While running the following line on T020 Talkatorial:
The values on the final column should not have been
NaN
.I think the problem is while loading the
mda.Universe()
. As it gives me a runtime warning:Warning:
Steps To replicate
https://colab.research.google.com/drive/1DEyWegGy5PBDm9LxBb3Fm8CdcdHvQNNq#scrollTo=d5MsnvTKxTYr
For the replication of the bug, I ran T019 and T020 as they were shown in the website. Only change done was adding
nglview
andmdanalysis
on conda installation.Changed To
Initially I had thought that the problem was with the files created from T019 Talkatorial and downloaded a new files from the link of T020 talkatorial's README
(MD_system.pdb, trajectory_.dcd)
. That also did not solve the issue.The text was updated successfully, but these errors were encountered: