A minor stability release of the PELE Platform that contains several bug fixes for frag PELE and general version updates.
Find below the full list of modifications:
- Fragments are saved by name without random strings
- Extra parameters can be passed to frag to have more flexibility when configurint it.
- fragPELE now supports OpenFF.
- Solve issues with standard SEP residue.
- Upgrade versions of fragPELE, peleffy and PPP.