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Hi Sebastian,<br>
<br>
<span style="font-size:11.0pt" lang="EN-GB">Amber force field is not
available in phenix.real_space_refine.<br>
<br>
Pavel<br>
</span><br>
<div class="moz-cite-prefix">On 1/24/18 02:01, Sebastian Eustermann
wrote:<br>
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<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">Dear
All,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">I
just wondered whether/how one can use the Amber force field<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">also
for phenix.real_space_refinement?<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">I
tried “use_amber=True” as it is implemented for
phenix.refine<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">but
that option does exists for phenix.real_space_refinement …<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">Thanks
for your help<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">BW<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">Sebastian<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">--------------------------------------
<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">Sebastian
Eustermann, PhD<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt" lang="EN-GB">Gene
Center LMU Munich, Germany<o:p></o:p></span></p>
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