Dear all,

I'm trying to get DEN refinement going from the command line.  The run aborts quickly with the following error in the log file:

Sorry: Cartesian simulated annealing should not be turned on for DEN refinement. Annealing settings are controlled in the den parameter scope.

The DEN scope in input.def looks like this:

  den {
    reference_file = den_ref_Jun.pdb
    gamma = 0.5
    kappa = 0.1
    weight = 30
    sigma = 0.44
    optimize = True
    opt_gamma_values = 0 0.2 0.4 0.6 0.8 1
    opt_weight_values = 3 10 30 100 300
    num_cycles = 12
    kappa_burn_in_cycles = 2
    bulk_solvent_and_scale = True
    refine_adp = True
    final_refinement_cycle = False
    verbose = False
    annealing_type = *torsion cartesian
    output_kinemage = False
    restraint_network {
      lower_distance_cutoff = 3
      upper_distance_cutoff = 15
      sequence_separation_low = 0
      sequence_separation_limit = 10
      exclude_hydrogens = True
      ndistance_ratio = 1
      export_den_pairs = False
      den_network_file = None
    }

Annealing type is torsion from what I can tell.  What am I doing wrong?

(Release tag: 1394, Platform: intel-linux-2.6-x86_64 redhat-e6.2)


Thanks.


Andreas


--
        Andreas Förster, Research Associate
        Paul Freemont & Xiaodong Zhang Labs
Department of Biochemistry, Imperial College London
            http://www.msf.bio.ic.ac.uk
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