<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"> P {margin-top:0;margin-bottom:0;} </style>
</head>
<body dir="ltr">
<div style="font-family: Aptos, Aptos_EmbeddedFont, Aptos_MSFontService, Calibri, Helvetica, sans-serif; font-size: 12pt; color: rgb(0, 0, 0);" class="elementToProof">
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">Dear colleagues,<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US"><o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">While refining my model, the Mg atom for some of the margin units moves far away from them. I am also using the ELBOW files of Mg during the refinement.<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US"><o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">What is the way to restrict the movement of atoms during refinement?<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">I found that this behaviour can be observed after simulated annealing is on. And the harmonic_restraints may be acquired to restrict atom movement.<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">Is that right?<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">I am using the GUI version of Phenix, and I cannot see those parameters.<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US"><o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">Thank you.<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US"><o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">Sincerely,<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US" class="ContentPasted0">Dmitry<o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US"><o:p class="ContentPasted0"> </o:p></span></p>
<p class="MsoNormal" style="margin:0cm 0cm 8pt;font-size:11pt;font-family:Calibri, sans-serif">
<span lang="EN-US" style="mso-ansi-language:EN-US"><o:p class="ContentPasted0"> </o:p></span></p>
<br>
</div>
</body>
</html>