<div>Dear all,<br></div><div><br></div><div>Last week, I played a little bit with geometry weight in phenix refinement. When I check the log file, what I found is that if I use wxc_scale and fix_wxc in my refinement, actually phenix will ignore the wxc_scale, while if I only use wxc_scale, phenix will follow the value specified in the command line, but the wxc value will change from one macro cycle to another cycle.</div>
<div><br></div><div>Below shows one of my examples in which the wxc_scale values are ignored when I use wxc_scale and fix_wxc at the same time. Anyone has similar problems? Thanks for all your considerations.</div><div><br>
</div><div>##################</div><div>Command line arguments: "../new-unique.mtz" "../3tx8.pdb" "fix_rotamers=true" "strategy=individual_adp+individual_sites" "wxc_scale=0.01" "refinement.input.xray_data.labels=FP,SIGFP" "fix_wxc=10" "--overwrite"<br>
refinement.target_weights.wxc_scale = 0.01<br> refinement.target_weights.fix_wxc = 10<br> wxc_scale = 0.01<br> fix_wxc = 10<br>| XYZ refinement: T = Eexperimental * wxc * wxc_scale + Echem * wc |<br>| wxc = 10.000000 wxc_scale = 1.000 wc = 1.000 |</div>
<div>...</div><div>##################</div><div><br></div><div><br></div><div>Wenchang</div>