[phenixbb] Problem with parameters file for group ADP refinement
knettles at scripps.edu
Wed Dec 30 12:29:08 PST 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,
strategy = *individual_sites individual_sites_real_space rigid_body \
individual_adp *group_adp *tls occupancies group_anomalous
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
mode = *every_macro_cycle
refinement.modify_start_model.adp.set_b_iso = 80
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