[phenixbb] Problem with parameters file for group ADP refinement

30 Dec 2009

      I'm trying to refine a 3.5 anstrom structure with one TLS and one ADP per chain, but I keep getting the error message:

"Sorry: Selections for group B-factor refinement are given, but no refinement requested."

The parameters file is listed below. Any suggestions?

Best regards and happy New Year,

Kendall Nettles

refinement {
  refine {
    strategy = *individual_sites individual_sites_real_space rigid_body \
               individual_adp *group_adp *tls occupancies group_anomalous
    adp {
      group = chain X
      group = chain A
      group = chain B
      group = chain C
      group = chain D

      tls = chain X
      tls = chain A
      tls = chain B
      tls = chain C
      tls = chain D

      }}

     target_weights {
    mode = *every_macro_cycle
    optimize_wxc=true
    optimize_wxu=true}

}

refinement.modify_start_model.adp.set_b_iso = 80

refinement.input.xray_data.labels=IMEAN