You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
The documentation does not point out that the molfile which is the input to molfile_to_params.py must already contain explicit hydrogens. (Unlike standard PDB inputs to Rosetta, which can be provided as heavy-atom only.)
Not having hydrogens on the input molfile means that the energies and binding positions in fullatom mode with the thus-generated params file will not be correct.
The text was updated successfully, but these errors were encountered:
The documentation does not point out that the molfile which is the input to molfile_to_params.py must already contain explicit hydrogens. (Unlike standard PDB inputs to Rosetta, which can be provided as heavy-atom only.)
Not having hydrogens on the input molfile means that the energies and binding positions in fullatom mode with the thus-generated params file will not be correct.
The text was updated successfully, but these errors were encountered: