Victor Reys

Modifications/suggestions have been addressed. Also discussed a little bit with @amjjbonvin for some restraints related things.

> This should be added together with the other restraints at https://github.com/haddocking/haddock-restraints, not here I do not agree. This is haddock3 python version of the restraints, not the rust version

resolve #776

> What will happen if a protein-ligand complex is passed to the openmm module? Is there a check that only "pure" protein and nuclei acids are accepted? Also I assume...

- Added try/except logic to handle cases where topology cannot be generated due to unknown (by the force-field) residues. - Also fixed module when using implicit solvent !

Is your issue solved ?

As we are doing continuous integration with (+-) daily merges, should we somehow add the full last merge git SHA (or just the first 6 characters) next to the version...

Indeed ! an other branch [autamatic-patch-update2](https://github.com/haddocking/haddock3/tree/autamatic-patch-update2) is using this `setuptools-scm` approach. But it generate natsy patch identifiers !

Closing this issue as stable versions are coming soon, and we will point to specific tags!

> At this time is looks like an exact duplication of the 2023 tutorial, correct? No, as stated in the PR header - surfdrive link was modified - analysis values...