2022-04-29 Meeting notes

@Jessica Maat (Deactivated)

• JM: Working on the dataset prep for torsion multiplicity issue.

@Pavan Behara

• Slides : https://docs.google.com/presentation/d/1p17ZvmOxXY8fXggCN9ygplS85fQBE2dAEv8tDTUIS94/edit?usp=sharing

• Discussion summary:

  • t16 was introduced for bridgeheads but can be split with a non-ring central bond for better description of the weird profiles we see.

  • t77 there seem to be some pi-stacking issues here

  • t70* may use some periodicity changes

  • Focus more on the resolvable issues and throw some of the hard steric clashes, which can’t be solved with improving torsions, in to the bin of known issues for future.