<p>Hi Mario,</p>
<p>I've not encountered that bug before, but as Nat said I would suggest trying a more recent installer if you have not.</p>
<p>If you still encounter crashes, could you send me your input files off-list so I could try to replicate the problem here? Everything will be kept confidential. </p>
<p>As an aside, DEN refinement will soon be separated out as its own program, with GUI, to allow for more sensible default parameters and directed control.</p>
<p>Thanks,<br>
Jeff</p>
<div class="gmail_quote">On Mar 30, 2012 5:42 AM, "Mario Sanches" <<a href="mailto:mariosan@gmail.com">mariosan@gmail.com</a>> wrote:<br type="attribution"><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
I am running phenix.refine using the graphical interface. Under "global refinement paramerters..." I am selecting "DEN". �The problem is that Python crashes all the time, always at the same point (see portion of the log output below). Is it a known bug? Is DEN incompatible with some of the options in refinement? My resolution is 2.9A by the way.<div>
<br></div><div>Thank you for your inputs.</div><div><br></div><div>Mario Sanches</div><div><br></div><div>___________________________</div><div>Log output final portion:<br><div><br></div><div>
<p>tardy dynamics:</p>
<p>� number of bodies: 3678</p>
<p>� number of degrees of freedom:� 3713</p>
<p>�� � � � � number of atoms * 3: 38220</p>
<p>�� � � � � � � � � � � � ratio: 0.097 = 1/10.29</p>
<p>� temperature degrees of freedom: cartesian (38220)</p>
<p>� kinetic energy sensitivity to generalized velocities:</p>
<p>� � n: 3713</p>
<p>� � min:� 3.61771e-06</p>
<p>� � max:� 0.0300001</p>
<p>� � mean: 0.00410663</p>
<p>� time step: 0.00100 pico seconds</p>
<p>� velocity scaling: True</p>
<p>� suppressing allowed origin shifts: False</p>
<p>� new target temperature:� 2500.00 K</p>
<p>�� step=� � 1 temperature= 2500.0 rmsd=0.0446 r_work=0.3010 r_free=0.3214</p><div><div><br></div>-- <br>Mario Sanches<br>Postdoctoral Researcher<br>Samuel Lunenfeld Research Institute<br>Mount Sinai Hospital<br>
600 University Ave<br>Toronto - Ontario<br>Canada<br>M5G 1X5<br><a href="http://ca.linkedin.com/in/mariosanches" target="_blank">http://ca.linkedin.com/in/mariosanches</a><br>
</div></div></div>
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