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Revisions №61477

branch: master 「№61477」
Commited by: Andrew Leaver-Fay
GitHub commit link: 「fc7820a6e329c28b」
Difference from previous tested commit:  code diff
Commit date: 2020-11-12 12:15:41

Merge pull request #5075 From branch aleaverfay/hotfix_rama_ats_w_dof_derivs Fix a segfault that shows up when using cartesian minimization with the "old" (pre ref2015) rama term on termini. Now, the RamachandranEnergy class checks residues to see that they're not termini before appending the dof-deriv atoms for their phi or psi, since if they are termini, then those atoms don't exist. The Ramachandran class (which defines the potential) uses logic to decide whether a residue should have its energy counted; that logic needs to be invoked by the RamachandranEnergy class in its atoms_with_dof_derivatives function. Thanks for the heads up, Florian and Julia! Thanks for the help in zeroing in out the problem, TJ!

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