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[Bug]: Looping over molecules #315

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@skfegan

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Looping over molecules


In the dihedrals.py, when looping over molecules to accumulate dihedral angle values, it was sometimes only using the MDAnalysis.Dihedrals results for the first molecule instead of all the molecules in the group. This caused the code to underestimate the conformational entropy because some states were being missed.

Activity

  1. self-assigned this
    on Apr 10, 2026
  2. added theissue type on Apr 10, 2026
  3. linked a pull request that will close this issueTrajectory Slicing #316on Apr 17, 2026
  4. added a commit that references this issue on Apr 17, 2026
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