Hi all The docking of proteins containing norleucine fails with the following error.
can not find a residue type that matches the residue NLU at position 181 can not find a residue type that matches the residue NLU at position 181
ERROR: core::util::switch_to_residue_type_set fails
Is the error related to not being able to find a centroid l-ncaa params file for norleucine?
Would copying centroid MET.params into NLU.params and indicating its location in residue_types.txt work?
You're correct that the error is due to not having a centroid norleucine params file.
Stealling the centroid MET.params and convering it to a NLU.params file is an excellent idea for a workaround, and should work.