I'm trying to evaluate the energy of a 12 residues loop (residues 48-59) without considerint its environment. This loop contains one disulfide bond between residues 48 and 111. Since this bond links one loop CYS with another CYS located outside, when I trim the loop (dummy) from the full structure (pose) with grafting functions:
and I evaluate energy:
some error appears inmediately:
ERROR: Could not find disulfide partner for residue 1
Any idea to fix this?
Note I'm not interested at all in disulfide bonds. At this moment it does not matter if the loop CYS is not forming a disulfide bond. I've tried to disable disulfide bond detection using "-rebuild_disulf false -detect_disulf false" options without any success:
init(extra_options = "-rebuild_disulf false -detect_disulf false")
Thanks a lot!