TODO for point mutations

[szaand]

@JohannesKarwou While investigating peptide ligands, I ran into some issues that could be considered for improvement:

• Overall charge between intermediate states can differ (see https://github.com/wiederm/transformato/issues/71 )

  • Maybe compensating via scaling the charge of an ion (sodium, chloride, etc.) could help?

• Dihedral parameters are not covered when mutating residues, which are covalently bound to the rest of the peptide ligand (in my case there were two missing dihedrals connecting to the rest of the backbone)

[JohannesKarwou]

@szaand, thanks for the feedback! There will be a version supporting point mutations soon (https://github.com/wiederm/transformato/pull/98), which will be adaptable to peptides as well