Hi Alex,

the optimal weights are not preserved for subsequent runs automatically because they may vary a lot even between macro-cycles.
If you want to reuse them, specify them manually (and turn off weights optimization) using fix_wxc and fix_wxu.

More details here:
http://www.phenix-online.org/newsletter/CCN_2011_07.pdf
see "Improved target weight ..." article.

Pavel

On 10/19/12 2:04 AM, Alex Theodossis wrote:

Dear bb,

I have made use of the target weight optimisation feature with great results.

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?

In the last round of refinement I get:

Best XYZ weight: 9.000

Best ADP weight: 0.695

But the output .eff file does not seem to have saved these values for use in subsequent refinements:

target_weights {

optimize_xyz_weight = True

optimize_adp_weight = True

wxc_scale = 0.5

wxu_scale = 1

wc = 1

wu = 1

fix_wxc = None

fix_wxu = None

Is it appropriate to enter the optimised values in the fix_wxc and fix_wxu fields?

Thanks in advance
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