<html><head><meta http-equiv="Content-Type" content="text/html charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">Thanks for the response,<div class=""><br class=""></div><div class="">A redownload worked...<br class=""><div class=""><br class=""></div><div class="">would you please take a stab at particularly #2 . For # 3 I saw an 2013 blog that multicore was not supported and I take this to still be the case.</div><div class=""><br class=""></div><div class="">Regards,</div><div class="">Paul</div><div class=""><br class=""></div><div class=""><br class=""><div><blockquote type="cite" class=""><div class="">On May 22, 2017, at 4:48 PM, Eric Pettersen <<a href="mailto:pett@cgl.ucsf.edu" class="">pett@cgl.ucsf.edu</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><meta http-equiv="Content-Type" content="text/html charset=utf-8" class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class="">This <i class="">particular</i> bug was fixed on the 19th — if you get the current daily build you won’t get this “coercing to Unicode” error.<div class=""><br class=""></div><div class="">—Eric</div><div class=""><br class=""><div class="">
<div style="letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px; word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class=""><span class="Apple-tab-span" style="white-space: pre;"> </span>Eric Pettersen</div><div class=""><span class="Apple-tab-span" style="white-space: pre;"> </span>UCSF Computer Graphics Lab</div><div class=""><br class=""></div></div></div><div class=""><blockquote type="cite" class=""><div class=""><div class="WordSection1" style="page: WordSection1; font-family: Helvetica; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;"><div style="font-size: 12pt; margin: 0in 0in 0.0001pt; font-family: 'Times New Roman', serif;" class=""><span style="font-size: 11pt; font-family: Calibri, sans-serif; color: rgb(31, 73, 125);" class=""><o:p class=""> </o:p></span></div><div class="" style="font-size: 12px;"><div style="border-style: solid none none; border-top-width: 1pt; border-top-color: rgb(181, 196, 223); padding: 3pt 0in 0in;" class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><b class=""><span style="font-size: 10pt; font-family: Tahoma, sans-serif;" class="">From:</span></b><span style="font-size: 10pt; font-family: Tahoma, sans-serif;" class=""><span class="Apple-converted-space"> </span>Paul Buscemi [<a href="mailto:busce004@umn.edu" class="">mailto:busce004@umn.edu</a>]<span class="Apple-converted-space"> </span><br class=""><b class="">Sent:</b><span class="Apple-converted-space"> </span>Saturday, May 20, 2017 5:02 PM<br class=""><b class="">To:</b><span class="Apple-converted-space"> </span><a href="mailto:chimera-users@cgl.ucsf.edu" class="">chimera-users@cgl.ucsf.edu</a> BB<br class=""><b class="">Subject:</b><span class="Apple-converted-space"> </span>Input from Avogadro, solvation.<o:p class=""></o:p></span></div></div></div><div style="font-size: 12pt; margin: 0in 0in 0.0001pt; font-family: 'Times New Roman', serif;" class=""><o:p class=""> </o:p></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">Dear Chimera,<o:p class=""></o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">Three basic questions:<o:p class=""></o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">I’m using Avogadro to construct my models and import as mol2 or pdb types. I often obtain messages as<o:p class=""></o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><span id="cid:8F3FA20F-DA7C-4F2C-A9C1-4612845068AB@Home" class=""><PastedGraphic-1.png></span><o:p class=""></o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">or that the atom is not “listed” . <o:p class=""></o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">Is there a preparation I can use for transfer of models ? Alternatively do you suggest any other program to construct models ?<o:p class=""></o:p></span></div></div><div class="" style="font-size: 12px;"><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-family: 'Times New Roman', serif;" class=""><span class=""><font color="#1a0a53" size="4" class="">2) If I use Tools > Amber> solvate to solvate a model, should I use the “Start solvate tool” under when starting a MD run ? </font></span></div></div></div></div></blockquote></div></div></div></div></blockquote><br class=""><blockquote type="cite" class=""><div class=""><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class=""><div class=""><blockquote type="cite" class=""><div class=""><div class="WordSection1" style="page: WordSection1; font-family: Helvetica; font-size: 12px; font-style: normal; font-variant-caps: normal; font-weight: normal; letter-spacing: normal; text-align: start; text-indent: 0px; text-transform: none; white-space: normal; word-spacing: 0px; -webkit-text-stroke-width: 0px;"><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""></o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">3) Im considering building a multicore system ( two 16 core Xeon’s) as a 64 bit system would Chimera take advantage of the multi-core system ?<o:p class=""></o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">Would the upgrade funds be better spent on memory or just a great CUDA GPU ?<o:p class=""></o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">Regards,<o:p class=""></o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class=""><o:p class=""> </o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">Paul Buscemi,<o:p class=""></o:p></span></div></div><div class=""><div style="margin: 0in 0in 0.0001pt; font-size: 12pt; font-family: 'Times New Roman', serif;" class=""><span class="">UMN BICB<o:p class=""></o:p></span></div></div></div><span style="font-family: Helvetica; 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