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</o:shapelayout></xml><![endif]--></head><body lang=EN-US link=blue vlink=purple><div class=WordSection1><p class=MsoNormal>We are pleased to announce version 3.1.1 of OpenMM, which includes the following changes:<o:p></o:p></p><p class=MsoListParagraph style='margin-left:0in;text-indent:-.25in;mso-list:l3 level1 lfo4'><![if !supportLists]><span style='mso-list:Ignore'>-<span style='font:7.0pt "Times New Roman"'> </span></span><![endif]><o:p> </o:p></p><p class=MsoNormal style='margin-left:.25in'><b>*Large performance improvements</b><o:p></o:p></p><p class=MsoListParagraph style='margin-left:.25in'><b> - </b>Especially to the AMOEBA plugin<o:p></o:p></p><p class=MsoListParagraph style='margin-left:.25in'><b> -</b> New benchmarks for OpenMM and AMOEBA available at <a href="http://wiki.simtk.org/openmm/Benchmarks">http://wiki.simtk.org/openmm/Benchmarks</a><o:p></o:p></p><p class=MsoListParagraph style='margin-left:.25in'><span class=apple-converted-space><o:p> </o:p></span></p><p class=MsoListParagraph style='margin-left:.25in'><b>*Use of multiple GPUs</b><o:p></o:p></p><p class=MsoListParagraph style='margin-left:.25in'><b> - </b>Parallelize calculations across GPUs<o:p></o:p></p><p class=MsoListParagraph style='margin-left:.25in'><b> -</b><span class=apple-converted-space><span style='font-size:7.0pt'> </span></span>Available for the OpenCL platform<o:p></o:p></p><p class=MsoNormal style='margin-left:.25in'> <o:p></o:p></p><p class=MsoNormal style='margin-left:.25in'><b>*Direct polarization model<span class=apple-converted-space> </span></b>now supported by the AMOEBA plugin<o:p></o:p></p><p class=MsoNormal style='margin-left:.25in'><o:p> </o:p></p><p class=MsoNormal style='margin-left:.25in'><b>*GB/VI force [1] fully supported</b><o:p></o:p></p><p class=MsoNormal style='margin-left:.5in'><b> </b><o:p></o:p></p><p class=MsoNormal style='margin-left:.25in'><span class=apple-converted-space><span style='font-size:7.0pt'> </span></span>Plus bug fixes and more….<o:p></o:p></p><p class=MsoNormal style='margin-left:.25in'><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>Download the latest version from<span class=apple-converted-space> </span><a href="https://simtk.org/project/xml/downloads.xml?group_id=161">here</a>. Visit the OpenMM website (<a href="http://simtk.org/home/openmm">http://simtk.org/home/openmm</a>) for more information.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>[1] Labute P, “The generalized Born/volume integral implicit solvent model: Estimation of the free energy of hydration using London dispersion instead of atomic surface area,” J Comput Chem (2008), 29(10): 1693–1698.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'>_______________________________________________<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'><o:p> </o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'>Joy P. Ku, PhD<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'>Director, Simbios<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'><a href="http://simbios.stanford.edu"><span style='color:blue'>http://simbios.stanford.edu</span></a><o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'><o:p> </o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'>Director of Communications & Training,<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'>National Center for Simulation in Rehabilitation Research<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'><a href="http://opensim.stanford.edu"><span style='color:blue'>http://opensim.stanford.edu</span></a><o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'><o:p> </o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'>(W) 650.736.8434, (F) 650.723.7461<o:p></o:p></span></i></p><p class=MsoNormal><i><span style='font-size:10.0pt;color:#595959'>Email: <a href="mailto:joyku@stanford.edu"><span style='color:blue'>joyku@stanford.edu</span></a><o:p></o:p></span></i></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>