Reply To: How to relax only one domain of a protein and keep the rest of them fixed

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April 18, 2011 at 8:46 pm #5451
Anonymous

    A) It may be worth checking that you edited the occupancies and not the B-factors?

    B) Try the flag relax::default_repeats. It appears to have a default of either 5 or 8, so maybe you can try 3? This is a guess, I don’t really know what the flag does. You can try running relax, WITHOUT this flag, WITH the flag show_accessed_options – that will report at the end of the run if it ever even checks that flag (which I am not sure of).