Here is the file that I forgot to attach to my previous email. Pavel. refinement { input { xray_data { labels = F high_resolution = 3.4 low_resolution = 20.0 } } output { prefix = test } refine { strategy = *individual_sites rigid_body individual_adp *group_adp *tls \ occupancies group_anomalous adp { group_adp_refinement_mode = one_adp_group_per_residue \ two_adp_groups_per_residue *group_selection group = "resid 133:203" group = "chain A and resid 4:132" group = "chain B and resid 4:132" group = "chain C and resid 4:132" group = "chain X and resid 4:132" group = "chain Y and resid 4:132" group = "chain Z and resid 4:132" tls = "chain A and resid 4:132" tls = "chain B and resid 4:132" tls = "chain C and resid 4:132" tls = "chain X and resid 4:132" tls = "chain Y and resid 4:132" tls = "chain Z and resid 4:132" } } main { ncs = True number_of_macro_cycles = 4 } ncs { find_automatically = False restraint_group { reference = chain A and resid 133:203 selection = chain B and resid 133:203 selection = chain C and resid 133:203 selection = chain X and resid 133:203 selection = chain Y and resid 133:203 selection = chain Z and resid 133:203 } restraint_group { reference = chain B and resid 4:132 selection = chain A and resid 4:132 selection = chain C and resid 4:132 selection = chain X and resid 4:132 selection = chain Y and resid 4:132 selection = chain Z and resid 4:132 } } }