Hi, Dear all,<br><br>I was using phenix.refine to refine the structure. Once I turned on optimize_wxc w/o optimize_wxu, the job failed with the following message. <br><br>----------xray term weight optimization (wxc)----------<br>
<br>Traceback (most recent call last):<br>&nbsp; File &quot;/Application/phenix/phenix-1.3b-rc6/phenix/phenix/command_line/refine.py&quot;, line 5, in &lt;module&gt;<br>&nbsp;&nbsp;&nbsp; command_line.run(command_name=&quot;phenix.refine&quot;, args=sys.argv[1:])<br>
&nbsp; File &quot;/Application/phenix/phenix-1.3b-rc6/phenix/phenix/refinement/command_line.py&quot;, line 82, in run<br>&nbsp;&nbsp;&nbsp; call_back_after_monitor_collect=call_back_after_monitor_collect)<br>&nbsp; File &quot;/Application/phenix/phenix-1.3b-rc6/phenix/phenix/refinement/driver.py&quot;, line 1143, in run<br>
&nbsp;&nbsp;&nbsp; call_back_after_monitor_collect = call_back_after_monitor_collect)<br>&nbsp; File &quot;/Application/phenix/phenix-1.3b-rc6/phenix/phenix/refinement/strategies.py&quot;, line 449, in refinement_machine<br>&nbsp;&nbsp;&nbsp; log&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; = log)<br>
&nbsp; File &quot;/Application/phenix/phenix-1.3b-rc6/phenix/phenix/refinement/weight_xray_chem.py&quot;, line 256, in __init__<br>&nbsp;&nbsp;&nbsp; self.wxc_optimization()<br>&nbsp; File &quot;/Application/phenix/phenix-1.3b-rc6/phenix/phenix/refinement/weight_xray_chem.py&quot;, line 511, in wxc_optimization<br>
&nbsp;&nbsp;&nbsp; wxc = self.holder.wxc<br><br><br>The phenix I used is the latest version, 1.3b rc6. <br>The platform is intel-linux-2.6 redhat-e4. <br>Python is 2.4.2<br><br>Could anyone please tell me what the problem is?<br><br>Thank you very much!<br>
<br clear="all"><br>-- <br>Best Regards,<br>Shi Jiahai