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Fix bug in PCA trajectory iteration -- avoid explicit usage of self.s…
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marinegor committed Jan 12, 2024
1 parent 8ff8acc commit 211cbcf
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion package/MDAnalysis/analysis/pca.py
Original file line number Diff line number Diff line change
Expand Up @@ -247,7 +247,8 @@ def __init__(self, universe, select='all', align=False, mean=None,

def _prepare(self):
# access start index
self._u.trajectory[self.start]
# self._u.trajectory[self.start]
self._sliced_trajectory[0]
# reference will be start index
self._reference = self._u.select_atoms(self._select)
self._atoms = self._u.select_atoms(self._select)
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