Dear all, I tried to keep a conformation of a ligand during refinement with Refmac5 (Ver. 5.7.0032), and I put a harmonic restraint as,
external harmonic residues from 600 A to 600 A 600 is the residue number of the ligand. I checked structures with and without the harmonic restraint, but no change was found between the two structures at all. I also tried with and without sigma weight, but nothing changed again. "external harmonic" restraints worked for protein parts. I would appreciate any suggestions and comments. Thank you so much in advance, Koji
