I would like to dock Individual residues against the target surface on my protein. In this way, I have to produce a set of individual hydrophobic rotamers which can bind to a hydrophobic pocket on my protein.
I used this RosettaScript to generate inverse rotamers:
<EnergyPerResidue name="energy" pdb_num="102H" energy_cutoff="1.0"/>
<Ddg name="ddg" threshold="-1.0"/>
<TryRotamers name="try" pdb_num="102H" shove="102H"/>
but after some seconds it will failed and gives this error:
ERROR: Conformation: fold_tree nres should match conformation nres. conformation nres: 312 fold_tree nres: 219
ERROR:: Exit from: src/core/conformation/Conformation.cc line: 761
I included log file in attachments.
For your information, I did relax and refinement successfully. Also, I removed water and heteroattom from my PDB. There are some missing residues in the PDB.
Should I includ fold_tree?
How can I solve this error?