<div dir="ltr"><p dir="ltr" style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">Hi GROMACS users,<br>
<br>The second <span class="" style="background-color:rgb(255,255,204)">beta</span> release of GROMACS <span class="" style="background-color:rgb(255,255,204)">5.0</span> is available! We are making this available to you to get an early taste of how GROMACS <span class="" style="background-color:rgb(255,255,204)">5.0</span> will look and work, and most importantly to get feedback from you about how well things work. While we try our hardest to keep the quality of GROMACS as high as possible, we’re human, we overlook things while doing other things, and we need your many pairs of eyes to help build a tool that we can all use to do good science! We’d love it if you could try this new version of GROMACS out on the kinds of work that you do, and let us know what you think - good and bad! Please do not use this version for doing science you plan to publish - it needs more testing before it’s reliable enough for that.<br>
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</span></p><p dir="ltr" style="margin-top:0pt;margin-bottom:0pt"><span style="font-family:Arial;font-size:15px;line-height:1.15;white-space:pre-wrap;background-color:transparent">What new things can you expect? The things I mentioned here </span><font face="Arial"><span style="font-size:15px;line-height:17.25px;white-space:pre-wrap"><a href="https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2013-December/086011.html">https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2013-December/086011.html</a> all still apply - so a C++98 compiler and CMake of at least version 2.8.8. We have added</span></font></p>
<p style="margin-top:0pt;margin-bottom:0pt"><font face="Arial"><span style="font-size:15px;line-height:17.25px;white-space:pre-wrap">* support for the new TNG compressed trajectory format</span></font></p><p style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt">
<span style="line-height:1.15;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">* a feature for "computational electrophysiology" simulations, to simulate a steady-state ion concentration difference between compartments of a double membrane</span></p>
<p style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="line-height:1.15;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">* lots of internal cleaning of the house</span></p>
<p style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="line-height:1.15;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">* various bug fixes</span></p>
<p style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="line-height:1.15;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">P</span><span style="background-color:transparent;font-family:Arial;font-size:15px;white-space:pre-wrap;line-height:1.15">lease see the link to the release notes below for more details. All the content of GROMACS 4.6.5 (and that planned for 4.6.6) is present, apart from features that have been removed.</span></p>
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<span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">There’s quite a few other shiny features the hard-working GROMACS developers are still polishing, including supporting the few remaining algorithms missing from the Verlet cut-off scheme, adding support for Intel Xeon Phi, and more. If those sound interesting to you, please take a look at the work in progress at </span><a href="http://gerrit.gromacs.org/" target="_blank" style="text-decoration:none"><span style="font-size:15px;font-family:Arial;background-color:transparent;text-decoration:underline;vertical-align:baseline;white-space:pre-wrap">http://gerrit.gromacs.org</span></a><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"> - early testers and reviewers of code are always welcome!</span></p>
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<span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">We're still a few weeks from a release candidate, and then a final release, and it all relies on people joining in and helping us test! We hope you will consider making that contribution, so we we can continue to deliver high-quality free simulation software.</span></p>
<p dir="ltr" style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"><br>
You can find the code, manual, release notes, installation instructions and test<br>suite at the links below.<br><br><a href="ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.0-beta2.tar.gz" target="_blank">ftp://ftp.gromacs.org/pub/gromacs/gromacs-5.0-beta2.tar.gz</a></span></p>
<p dir="ltr" style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"><a href="ftp://ftp.gromacs.org/pub/manual/manual-5.0-beta2.pdf" target="_blank">ftp://ftp.gromacs.org/pub/manual/manual-5.0-beta2.pdf</a></span></p>
<p dir="ltr" style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="font-size:15px;font-family:Arial;vertical-align:baseline;white-space:pre-wrap"><a href="http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_5.0.x#Release_notes_for_5.0-beta2" target="_blank">http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_5.0.x#Release_notes_for_5.0-beta2</a></span><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"></span></p>
<p dir="ltr" style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"><a href="http://www.gromacs.org/Documentation/Installation_Instructions_for_5.0" target="_blank">http://www.gromacs.org/Documentation/Installation_Instructions_for_5.0</a></span></p>
<p dir="ltr" style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt"><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"><a href="http://gromacs.googlecode.com/files/regressiontests-5.0-beta2.tar.gz" target="_blank">http://gromacs.googlecode.com/files/regressiontests-5.0-beta2.tar.gz</a></span></p>
<br><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"></span><p dir="ltr" style="font-family:arial,sans-serif;font-size:13px;line-height:1.15;margin-top:0pt;margin-bottom:0pt">
<span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">Happy testing!</span></p><br><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial"></span><span style="font-family:Arial;font-size:15px;vertical-align:baseline;white-space:pre-wrap;background-color:transparent">Mark</span><br style="font-family:arial,sans-serif;font-size:13px">
<div style="font-family:arial,sans-serif;font-size:13px"><span style="vertical-align:baseline;font-size:15px;white-space:pre-wrap;background-color:transparent;font-family:Arial">GROMACS development manager</span></div></div>