I'm running a small ligand docking into a protein. I have chemical shift perturbation which I already converted into the active residues for protein. Also, I defined the whole molecule of small ligand as active residue. Then I submitted the job using the Easy Interface. I got the error message as :
TOTAL NUMBER OF DISTANCE RESTRAINTS FOR RIGID BODY DOCKING IS ZERO!
CONTROL YOUR PARAMETER SETTINGS AND RESTRAINT DEFINITIONS
STRUCTURE NUMBER 61
what should I do? I also sent email to register ID for guru interface, but haven't been responded yet.