Victor Baerle

Run in the same problem. Trying to understand whether the substrate identity is taken from the pdb input, or the potential should be specified somehow differently? Looked into the documentation,...

The somewhat described part regarding potentials can be found in README.md, line 398 ### Using Auxiliary Potentials . Also, an extensive guide is available at https://huggingface.co/blog/AmelieSchreiber/rfdiffusion-potentials Regarding the ligand: >...

LLK is the name of the ligand in the pdb file 5an7, used as a template.