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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 the release of OpenMM 5.0. <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>The OpenMM software package enables molecular dynamics (MD) simulations to be accelerated on high performance computer architectures, such as GPUs. Its performance, openness, and extreme flexibility – via custom forces and integrators – make it truly unique among simulation codes.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>OpenMM 5.0 includes features such as: <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span style='font-family:Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b>Improved performance with a new code-base for NVIDIA GPUs:</b> A new CUDA code-base enables faster computations on NVIDIA GPU cards. <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span style='font-family:Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b>Numerical precision options:</b> Users can now choose to run simulations using double precision, primarily single precision, or mixed precision calculations, depending on their performance versus accuracy needs.<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span style='font-family:Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b>Custom compound bond forces:</b> You can now create custom forces that depend on an arbitrary number of atoms, positions, distances, angles, and dihedrals. These are especially useful for designing new reactive forces. <o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span style='font-family:Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b>Parameter updating on-the-fly: </b>OpenMM 5.0 enables users to change a number of parameters, including charge and bond length, in the middle of a simulation. <o:p></o:p></p><p class=MsoListParagraph><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span style='font-family:Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b>Creation of complete snapshots of your simulation: </b> The checkpointing feature allows you to capture all the needed information about your simulation so you can restart it at a future point in time.<o:p></o:p></p><p class=MsoListParagraph><o:p> </o:p></p><p class=MsoListParagraph style='text-indent:-.25in;mso-list:l0 level1 lfo2'><![if !supportLists]><span style='font-family:Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b>GROMACS GRO file reader: </b>Easily import models generated using GROMACS into OpenMM<o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal>You can download the latest version from <a href="http://simtk.org/home/openmm">http://simtk.org/home/openmm</a>. Click on “Downloads.”<o:p></o:p></p><p class=MsoNormal><i><o:p> </o:p></i></p><p class=MsoNormal><b><i>OpenMM is now on YouTube: </i> </b>Video lectures from our latest workshop are now posted on our YouTube channel: <a href="http://www.youtube.com/user/SimbiosOpenMM">http://www.youtube.com/user/SimbiosOpenMM</a>. <o:p></o:p></p><p class=MsoNormal><i><o:p> </o:p></i></p><p class=MsoNormal><b><i>Interested in learning more?</i></b> A free workshop on using the many features of OpenMM is being held on March 26-29, 2013. To register, visit: <a href="http://simbios.stanford.edu/MDWorkshop.htm">http://simbios.stanford.edu/MDWorkshop.htm</a><o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><b><i>Visiting scholar opportunity:</i> </b>The OpenMM visiting scholar program supports one-month visits to Stanford University for in-depth training on OpenMM. Applications are due on April 8, 2013. Learn more at <a href="http://simbios.stanford.edu/">http://simbios.stanford.edu/</a><o:p></o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><o:p> </o:p></p><p class=MsoNormal><i><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'>---<o:p></o:p></span></i></p><p class=MsoNormal><b><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'>Joy P. Ku, PhD<o:p></o:p></span></b></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'>Director, </span><a href="http://simbios.stanford.edu/"><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:blue'>Simbios</span></a><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'>Director of Communications & Training, </span><a href="http://opensim.stanford.edu/"><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:blue'>NCSRR</span></a><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'><o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'>Stanford University<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'><o:p> </o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'>(w) 650.736.8434, (f) 650.723.7461<o:p></o:p></span></p><p class=MsoNormal><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'>Email: </span><a href="mailto:joyku@stanford.edu"><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:blue'>joyku@stanford.edu</span></a><span style='font-size:10.0pt;font-family:"Times New Roman","serif";color:#595959'><o:p></o:p></span></p><p class=MsoNormal><o:p> </o:p></p></div></body></html>