<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">I am trying to adapt my old CNS scripts to to multiple conformer refinements in Phenix, i.e. up to 20 copies of each entire chain.<div>I seem to be OK with up to three copies of the whole chain, but when I try four or more I seem to be in an infinite loop in the 'reduce' phase of a refinement.</div><div>3 copies runs in less than hour, even with torsion simulated annealing, with four even overnight the program just runs 'reduce for hours and hours'. This</div><div>happens on the standard release and development version 1422.</div><div>Is there some way to turn off hydrogens as a work around? Test files available on request. : )</div><div><br></div><div>Thanks for any help!</div><div><br></div><div>George</div><div><br></div><div><div apple-content-edited="true">
<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: -webkit-auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; font-size: medium; ">George N. Phillips, Jr.<br>Ralph and Dorothy Looney Professor<br>Department of Biochemistry and Cell Biology<br>Rice University, MS140<br>6100 Main Street<br>Houston, Texas 77005-1892<br>Office: +1 713.348.6951<br><a href="http://www.bioc.rice.edu/">http://www.bioc.rice.edu/</a><br><br><br></span>
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