nmaeder 168b111fe3 Ensure 13 bounds constraints are added to angles that are part of an improper torsion (#7729) ...

* make sure 13 bounds constraints are added to angles that are part of an impropper torsion

* make sure angles are constrained with higher force constant to prevent rings from folding

* adapt tests to new behavior

* move comment to correct place

* add min bounds test

* make sure we are not terribly outside of the bounds matrix

2024-08-21 16:06:29 +02:00

22 KiB

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