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    <title>gmx-users</title>
    <link>http://www.mail-archive.com/gmx-users@gromacs.org</link>
    <description>gmx-users @ gromacs</description>
    <pubDate>Thu, 14 Nov 2013 08:18:34 GMT</pubDate>
    <lastBuildDate>Thu, 14 Nov 2013 08:18:34 GMT</lastBuildDate>
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    <webMaster>themailarchive@gmail.com (The Mail Archive)</webMaster>
    <image>
       <title>The Mail Archive</title>
       <url>http://www.mail-archive.com/nanologo.png</url>
       <link>http://www.mail-archive.com/gmx-users@gromacs.org</link>
    </image>
 
    <item>
      <title>[gmx-users] mailing list migration</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64208.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/14&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Rossen Apostolov%22&quot;&gt;Rossen Apostolov&lt;/a&gt;</description>
      <pubDate>Thu, 14 Nov 2013 08:17:48 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64208.html</guid>
   </item>
    <item>
      <title>[gmx-users] shear viscosity</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64207.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/14&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Ahmet yıldırım%22&quot;&gt;Ahmet yıldırım&lt;/a&gt;</description>
      <pubDate>Thu, 14 Nov 2013 07:57:54 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64207.html</guid>
   </item>
    <item>
      <title>[gmx-users] remd</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64206.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/14&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Shine A%22&quot;&gt;Shine A&lt;/a&gt;</description>
      <pubDate>Thu, 14 Nov 2013 06:06:29 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64206.html</guid>
   </item>
    <item>
      <title>[gmx-users] (no subject)</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64205.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/14&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Shine A%22&quot;&gt;Shine A&lt;/a&gt;</description>
      <pubDate>Thu, 14 Nov 2013 06:04:29 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64205.html</guid>
   </item>
    <item>
      <title>[gmx-users] GROMACS-4.6.3 CUDA version on multiple nodes each	having 2 GPUs</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64204.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Prajapati, Jigneshkumar Dahyabhai%22&quot;&gt;Prajapati, Jigneshkumar Dahyabhai&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 18:56:35 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64204.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] GROMACS 4.6.4 is released</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64203.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22jkrieger%22&quot;&gt;jkrieger&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 17:32:08 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64203.html</guid>
   </item>
    <item>
      <title>[gmx-users] GROMACS 4.6.4 is released</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64202.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Mark Abraham%22&quot;&gt;Mark Abraham&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 17:15:21 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64202.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64201.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 16:57:45 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64201.html</guid>
   </item>
    <item>
      <title>[gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64200.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Atila Petrosian%22&quot;&gt;Atila Petrosian&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 16:55:18 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64200.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64199.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 15:47:08 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64199.html</guid>
   </item>
    <item>
      <title>[gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64198.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Atila Petrosian%22&quot;&gt;Atila Petrosian&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 15:41:48 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64198.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64197.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 14:46:25 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64197.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64196.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Venkat Reddy%22&quot;&gt;Venkat Reddy&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 14:42:25 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64196.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] error while running pdb2gmx</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64195.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Mark Abraham%22&quot;&gt;Mark Abraham&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 14:28:10 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64195.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Recompile Gromacs 4.6.3</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64194.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Mark Abraham%22&quot;&gt;Mark Abraham&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 14:08:31 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64194.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] How to construct mixed lipid bilayer</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64193.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Arun kumar V%22&quot;&gt;Arun kumar V&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 14:03:03 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64193.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] How to construct mixed lipid bilayer</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64192.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22rajat desikan%22&quot;&gt;rajat desikan&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 14:02:29 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64192.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] How to construct mixed lipid bilayer</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64191.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Arun kumar V%22&quot;&gt;Arun kumar V&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 13:55:29 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64191.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] error while running pdb2gmx</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64190.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 13:54:32 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64190.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64189.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 13:52:35 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64189.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64188.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 13:52:10 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64188.html</guid>
   </item>
    <item>
      <title>[gmx-users] Recompile Gromacs 4.6.3</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64187.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Jheng Wei Li%22&quot;&gt;Jheng Wei Li&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 13:48:24 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64187.html</guid>
   </item>
    <item>
      <title>[gmx-users] How to construct mixed lipid bilayer</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64186.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Nikhil Agrawal%22&quot;&gt;Nikhil Agrawal&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 13:16:13 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64186.html</guid>
   </item>
    <item>
      <title>[gmx-users] about my single point calculation</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64185.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22fantasticqhl%22&quot;&gt;fantasticqhl&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 13:11:06 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64185.html</guid>
   </item>
    <item>
      <title>[gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64184.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Atila Petrosian%22&quot;&gt;Atila Petrosian&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 12:07:53 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64184.html</guid>
   </item>
    <item>
      <title>[gmx-users] error while running pdb2gmx</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64183.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22hasthi%22&quot;&gt;hasthi&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 11:09:29 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64183.html</guid>
   </item>
    <item>
      <title>[gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64182.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Atila Petrosian%22&quot;&gt;Atila Petrosian&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 10:57:54 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64182.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Bilayer COM removal issue: Large VCM</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64181.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22rajat desikan%22&quot;&gt;rajat desikan&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 10:54:04 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64181.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Bilayer COM removal issue: Large VCM</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64180.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22rajat desikan%22&quot;&gt;rajat desikan&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 10:38:36 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64180.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] help about ibi</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64179.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Mark Abraham%22&quot;&gt;Mark Abraham&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 10:11:07 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64179.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Bilayer COM removal issue: Large VCM</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64178.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Tsjerk Wassenaar%22&quot;&gt;Tsjerk Wassenaar&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 08:32:18 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64178.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: Bilayer COM removal issue: Large VCM</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64177.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22rajat desikan%22&quot;&gt;rajat desikan&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 07:07:34 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64177.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64176.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Venkat Reddy%22&quot;&gt;Venkat Reddy&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 05:21:34 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64176.html</guid>
   </item>
    <item>
      <title>[gmx-users] help about ibi</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64175.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/13&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22guozhicheng222%22&quot;&gt;guozhicheng222&lt;/a&gt;</description>
      <pubDate>Wed, 13 Nov 2013 02:58:38 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64175.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Change in the position of structural Zinc and	calcium ions during MD</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64174.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 23:56:00 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64174.html</guid>
   </item>
    <item>
      <title>Re: mdrun on 8-core AMD + GTX TITAN (was: Re: [gmx-users] Re:	Gromacs-4.6 on two Titans GPUs)</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64173.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Dwey Kauffman%22&quot;&gt;Dwey Kauffman&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 20:30:16 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64173.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64172.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Thomas Piggot%22&quot;&gt;Thomas Piggot&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 19:28:06 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64172.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: Change in the position of structural Zinc and calcium ions during MD</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64171.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Rama%22&quot;&gt;Rama&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 18:49:44 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64171.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64170.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 18:37:21 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64170.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64169.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Venkat Reddy%22&quot;&gt;Venkat Reddy&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 18:35:16 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64169.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Change in the positon of structural Zinc and calcium	ions during MD</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64168.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 18:00:32 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64168.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64167.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 17:56:45 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64167.html</guid>
   </item>
    <item>
      <title>[gmx-users] Change in the positon of structural Zinc and calcium	ions during MD</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64166.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Rama%22&quot;&gt;Rama&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 17:38:46 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64166.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64165.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Venkat Reddy%22&quot;&gt;Venkat Reddy&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 17:31:51 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64165.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64164.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 17:30:02 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64164.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64163.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22cjalmeciga%22&quot;&gt;cjalmeciga&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 17:16:18 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64163.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Restarting a simulation after replacing an empty	md.trr file</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64162.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 17:16:06 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64162.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: Restarting a simulation after replacing an empty	md.trr file</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64161.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22arunjones%22&quot;&gt;arunjones&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 17:08:39 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64161.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64160.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 16:30:05 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64160.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64159.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Venkat Reddy%22&quot;&gt;Venkat Reddy&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 16:26:53 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64159.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Restarting a simulation after replacing an empty	md.trr file</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64158.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 16:13:33 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64158.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64157.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 16:11:29 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64157.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: Restarting a simulation after replacing an empty	md.trr file</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64156.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22arunjones%22&quot;&gt;arunjones&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 16:11:21 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64156.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: segmentation fault on gromacs 4.5.5 after mdrun</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64155.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22cjalmeciga%22&quot;&gt;cjalmeciga&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 16:01:09 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64155.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64154.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 15:33:57 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64154.html</guid>
   </item>
    <item>
      <title>Re: mdrun on 8-core AMD + GTX TITAN (was: Re: [gmx-users] Re:	Gromacs-4.6 on two Titans GPUs)</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64153.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Szilárd Páll%22&quot;&gt;Szilárd Páll&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 15:25:07 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64153.html</guid>
   </item>
    <item>
      <title>[gmx-users] Invalid order for directive defaults</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64152.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Atila Petrosian%22&quot;&gt;Atila Petrosian&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 15:14:33 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64152.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: ok, thank you</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64151.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Williams Ernesto Miranda Delgado%22&quot;&gt;Williams Ernesto Miranda Delgado&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 14:32:27 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64151.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64150.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 14:02:16 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64150.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64149.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Venkat Reddy%22&quot;&gt;Venkat Reddy&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 13:58:21 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64149.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64148.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 13:48:28 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64148.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64147.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 13:44:21 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64147.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64146.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 13:17:41 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64146.html</guid>
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    <item>
      <title>Re: [gmx-users] Restarting a simulation after replacing an empty	md.trr file</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64145.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 13:17:35 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64145.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64144.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 13:16:49 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64144.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Reaction field zero and ions</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64143.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Dr. Vitaly Chaban%22&quot;&gt;Dr. Vitaly Chaban&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 12:06:26 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64143.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64142.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Dr. Vitaly Chaban%22&quot;&gt;Dr. Vitaly Chaban&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 12:05:25 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64142.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: Reaction field zero and ions</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64141.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 11:13:38 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64141.html</guid>
   </item>
    <item>
      <title>[gmx-users] Restarting a simulation after replacing an empty md.trr	file</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64140.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22arun kumar%22&quot;&gt;arun kumar&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 11:01:35 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64140.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] hydrogen bond calculation problem</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64139.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 10:58:29 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64139.html</guid>
   </item>
    <item>
      <title>[gmx-users] Calculating diffusion coefficient in three dimension</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64138.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Venkat Reddy%22&quot;&gt;Venkat Reddy&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 10:58:10 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64138.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: installation error under openSuse 12.2</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64137.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22kolnkempff%22&quot;&gt;kolnkempff&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 10:48:14 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64137.html</guid>
   </item>
    <item>
      <title>[gmx-users] installation error under openSuse 12.2</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64136.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Christoph Junghans%22&quot;&gt;Christoph Junghans&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 10:40:40 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64136.html</guid>
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    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64135.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 10:33:48 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64135.html</guid>
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    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64134.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/12&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Tue, 12 Nov 2013 10:28:40 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64134.html</guid>
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    <item>
      <title>[gmx-users] hydrogen bond calculation problem</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64133.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Sushma Yadav%22&quot;&gt;Sushma Yadav&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 17:38:01 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64133.html</guid>
   </item>
    <item>
      <title>[gmx-users] Re: Reaction field zero and ions</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64132.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Williams Ernesto Miranda Delgado%22&quot;&gt;Williams Ernesto Miranda Delgado&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 17:12:01 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64132.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] installation error under openSuse 12.2</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64131.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 16:44:01 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64131.html</guid>
   </item>
    <item>
      <title>[gmx-users] segmentation fault on gromacs 4.5.5 after mdrun</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64130.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Carlos Javier Almeciga Diaz%22&quot;&gt;Carlos Javier Almeciga Diaz&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 16:39:00 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64130.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] segmentation fault on gromacs 4.5.5 after mdrun</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64129.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 16:36:04 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64129.html</guid>
   </item>
    <item>
      <title>[gmx-users] installation error under openSuse 12.2</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64128.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22kolnkempff%22&quot;&gt;kolnkempff&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 16:29:02 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64128.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] help about logfile</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64127.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 13:03:45 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64127.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64126.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 12:59:52 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64126.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64125.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 12:58:52 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64125.html</guid>
   </item>
    <item>
      <title>[gmx-users] help about logfile</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64124.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22guozhicheng222%22&quot;&gt;guozhicheng222&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 10:05:53 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64124.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64123.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 09:10:23 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64123.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64122.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 06:31:26 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64122.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64121.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 01:42:23 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64121.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64120.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 01:39:20 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64120.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64119.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 01:36:22 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64119.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64118.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 01:31:20 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64118.html</guid>
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    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64117.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 01:14:22 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64117.html</guid>
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    <item>
      <title>[gmx-users] Re: Thankful</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64116.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Williams Ernesto Miranda Delgado%22&quot;&gt;Williams Ernesto Miranda Delgado&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 00:35:23 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64116.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64115.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/11&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22bharat gupta%22&quot;&gt;bharat gupta&lt;/a&gt;</description>
      <pubDate>Mon, 11 Nov 2013 00:19:22 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64115.html</guid>
   </item>
    <item>
      <title>[gmx-users] Bilayer COM removal issue: Large VCM</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64114.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/10&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22rajat desikan%22&quot;&gt;rajat desikan&lt;/a&gt;</description>
      <pubDate>Sun, 10 Nov 2013 19:10:47 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64114.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Umbrella Sampling tutorial</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64113.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/10&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Sun, 10 Nov 2013 14:20:08 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64113.html</guid>
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    <item>
      <title>[gmx-users] Umbrella Sampling tutorial</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64112.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/10&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22shahab shariati%22&quot;&gt;shahab shariati&lt;/a&gt;</description>
      <pubDate>Sun, 10 Nov 2013 14:15:22 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64112.html</guid>
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    <item>
      <title>Re: [gmx-users] problem in running mdrun command</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64111.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/10&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Mark Abraham%22&quot;&gt;Mark Abraham&lt;/a&gt;</description>
      <pubDate>Sun, 10 Nov 2013 13:21:47 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64111.html</guid>
   </item>
    <item>
      <title>Re: [gmx-users] Umbrella Sampling tutorial</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64110.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/10&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Sun, 10 Nov 2013 13:03:53 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64110.html</guid>
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    <item>
      <title>Re: [gmx-users] Re: g_analyze</title>
      <link>http://www.mail-archive.com/gmx-users@gromacs.org/msg64109.html</link>
      <description>&lt;font color=#6f6f6f&gt; 2013/11/10&lt;/font&gt; -- &lt;a href=&quot;http://www.mail-archive.com/search?l=gmx-users@gromacs.org&amp;q=from:%22Justin Lemkul%22&quot;&gt;Justin Lemkul&lt;/a&gt;</description>
      <pubDate>Sun, 10 Nov 2013 13:02:54 GMT</pubDate>
      <guid isPermaLink="true">http://www.mail-archive.com/gmx-users@gromacs.org/msg64109.html</guid>
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