Dear bb,<div><br></div><div>I have made use of the target weight optimisation feature with great results.</div><div><br></div><div>The question is, having optimised these weighting terms, how can I use the optimised values in subsequent runs without having to keep the optimisation option switched on?</div>
<div><br></div><div>In the last round of refinement I get:</div><div><br></div><div>Best XYZ weight: 9.000</div><div>Best ADP weight: 0.695</div><div><br></div><div><div><br></div><div>But the output .eff file does not seem to have saved these values for use in subsequent refinements:</div>
<div><br></div><div>target_weights {</div><div> optimize_xyz_weight = True</div><div> optimize_adp_weight = True</div><div> wxc_scale = 0.5</div><div> wxu_scale = 1</div><div> wc = 1</div><div> wu = 1</div>
<div> fix_wxc = None</div><div> fix_wxu = None</div></div><div><br></div><div>Is it appropriate to enter the optimised values in the fix_wxc and fix_wxu fields?</div><div><br></div><div>Thanks in advance</div><div>
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