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Description of the Change
Both sidechain and angle perform a similar type of sampling on aromatic residues. This contributes to an oversampling of the aromatics where too many conformers go into QP/MIQP. Here I move all sampling for aromatic residues into angle.
Release Notes
Move aromatic residue sampling from sidechain() into sample_angle()
Pull Request Checklist
dev
branch?Exceptions will be made for urgent bugfixes.
dev
?If not, please rebase your PR onto the most recent
dev
tip.Explain to a new user by completing the sentence: 'This PR will: ...'
Description of the Change
Both sidechain and angle perform a similar type of sampling on aromatic residues. This contributes to an oversampling of the aromatics where too many conformers go into QP/MIQP. Here I move all sampling for aromatic residues into angle.
Release Notes
Move aromatic residue sampling from sidechain() into sample_angle()