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united atom dihedrals #23

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skfegan opened this issue Dec 13, 2024 · 0 comments
Open

united atom dihedrals #23

skfegan opened this issue Dec 13, 2024 · 0 comments
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skfegan commented Dec 13, 2024

At the united atom level the code is looping over residues. When it is looking for the dihedrals to calculate the conformational entropy, we are probably missing a backbone dihedral angle which would connect the residue to its neighbouring residues.
@skfegan skfegan added the bug Something isn't working label Dec 13, 2024
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