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Amber-MD / pytraj

Python interface of cpptraj
https://amber-md.github.io/pytraj
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solve pca() degenerates input TrajectoryIterator issue #1453

Closed hongbo-zhu-cn closed 6 years ago

hongbo-zhu-cn commented 6 years ago

The pca() function will degenerate the input TrajectoryIterator because of an inappropriate re-initiation of actionlist. Also added a test to the test_pca.py to make sure the fix works.

hainm commented 6 years ago

Thanks @hongbo-zhu-cn