Bug Report
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.
Bug Report
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.