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Hi Ezequiel,<br>
<br>
deviations are not unexpected in general but not that large as you
report, so I wonder what's going on.. Could you please send me input
data and model files, as well as any ligand files you used. If you
customized some parameters, telling what were those would be helpful
too.<br>
<br>
Please send all files off-list to my email directly.<br>
<br>
Thanks,<br>
Pavel<br>
<br>
<div class="moz-cite-prefix">On 12/6/15 22:36, Ezequiel Noguera
wrote:<br>
</div>
<blockquote
cite="mid:333893429.7289043.1449412600314.JavaMail.yahoo@mail.yahoo.com"
type="cite">
<div style="color:#000; background-color:#fff;
font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial,
Lucida Grande, sans-serif;font-size:16px">
<div id="yui_3_16_0_1_1449410509620_4803">Hello, I'm working in
a refinement that I started some time ago. I noted that
repeating the same refinement task using a newer version of
phenix, the refinement statistics Before and After refinement
are different from values of the old version (I used "restore
job" from the Job history to repeat the same task in the two
versions installed in the same PC). Any explanation? I'm
worried about the rms deviation. Thanks in advance.</div>
<div id="yui_3_16_0_1_1449410509620_4803" dir="ltr"><br>
</div>
<div id="yui_3_16_0_1_1449410509620_4803" dir="ltr">new version:</div>
<div id="yui_3_16_0_1_1449410509620_4803">R-work: start=0.1697,
final=0.1761</div>
<div id="yui_3_16_0_1_1449410509620_4803">R-free: start=0.2011,
final=0.2053</div>
<div id="yui_3_16_0_1_1449410509620_4803">Bonds: start=0.046,
final=0.029</div>
<div id="yui_3_16_0_1_1449410509620_4803">Angles: start=1.321,
final= 0.631</div>
<div id="yui_3_16_0_1_1449410509620_4803"><br>
</div>
<div id="yui_3_16_0_1_1449410509620_4803" dir="ltr">old version:</div>
<div id="yui_3_16_0_1_1449410509620_4803" class="">R-work:
start=0.1651, final=0.1657</div>
<div id="yui_3_16_0_1_1449410509620_4803" class="">R-free:
start=0.2018, final=0.2009</div>
<div id="yui_3_16_0_1_1449410509620_4803" class="">Bonds:
start=0.013, final=0.013</div>
<div id="yui_3_16_0_1_1449410509620_4803" dir="ltr" class="">Angles:
start=1.409, final= 1.411</div>
</div>
<br>
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<br>
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