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This is an open access article published under an ACS AuthorChoice License, which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
All α/γ changes are
from parmbsc0 (cf. Figure 1 for torsion definitions).
Parm99χ_Yil and ff10 use different quantum mechanical methods
to derive χ. All force fields are based on the ff94 partial
charge67 and van der Waals model.