<font color="#000099"><font face="verdana,sans-serif">So if my personal computer have 2 cores, the np should be set to 2? Does it relate to -multi?</font></font><div><font color="#000099"><font face="verdana,sans-serif"><br>
</font></font></div><div><font color="#000099"><font face="verdana,sans-serif">How to choose a reasonable number for -replex? the smaller the better?</font></font></div><div><font color="#000099"><font face="verdana,sans-serif"><br>
</font></font></div><div><font color="#000099"><font face="verdana,sans-serif">Thanks again.<br></font></font><br><div class="gmail_quote">On Wed, Sep 28, 2011 at 3:06 PM, Justin A. Lemkul <span dir="ltr">&lt;<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>&gt;</span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im"><br>
<br>
Liu, Liang wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
This works. Thanks a lot.<br>
<br>
Currently I am running on an RNA molecule and I want to a 1 ns REMD simulations with 50 temperatures,<br>
would you please have a look at the following command &quot;mpirun -np 50 mdrun_mpi -s md.tpr -multi 50 -replex 50&quot;. Is this right?<br>
How to choose the numbers for np, multi or replex?<br>
<br>
</blockquote>
<br></div>
Current Gromacs versions allow more than one processor per REMD simulation. Please refer to the link I provided before for specifics.  You need all of the replicas to run at roughly the same speed so the number of processors per simulation should be the same.<div class="im">
<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Is the simulation time still set in the mdp file with nsteps and dt? e.g. nsteps = 500000 and dt = 0.002 to run a 1ns simulation?<br>
<br>
</blockquote>
<br></div>
It&#39;s just like any other simulation in this regard.<br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="im">
Any helps will be highly appreciated.<br>
<br></div><div class="im">
On Wed, Sep 28, 2011 at 1:27 PM, Justin A. Lemkul &lt;<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>&gt;&gt; wrote:<br>

<br>
<br>
<br>
    Liu, Liang wrote:<br>
<br>
        Thanks for the information. I installed the mpi version with<br>
        &quot;sudo apt-get install gromacs-openmpi&quot; under Ubuntu.<br>
<br>
        Then run &quot;mdrun_mpi -s md.tpr -replex 10 -multi 10&quot;?  Another<br>
        error appears, &quot;The number of nodes (1) is not a multiple of the<br>
        number of simulations (10)&quot;. What is this for?<br>
<br>
<br>
    You have to run mdrun_mpi as a process under mpirun, e.g.:<br>
<br>
    mpirun -np 10 mdrun_mpi -s md.tpr (etc)<br>
<br>
    -Justin<br>
<br>
        On Wed, Sep 28, 2011 at 1:02 PM, Justin A. Lemkul<br>
        &lt;<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>&gt;<br></div><div><div></div><div class="h5">
        &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>&gt;&gt;&gt; wrote:<br>
<br>
<br>
<br>
           Liu, Liang wrote:<br>
<br>
               Does that mean I have to use MPI? I got an error &quot;mdrun<br>
        -multi<br>
               is not supported with the thread library.Please compile<br>
        GROMACS<br>
               with MPI support&quot; after run &quot;mdrun -s md.tpr -multi 10<br>
        -replex 10&quot;<br>
<br>
<br>
           Per the error message, yes.<br>
<br>
           -Justin<br>
<br>
               On Wed, Sep 28, 2011 at 12:58 PM, Justin A. Lemkul<br>
               &lt;<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>&gt;<br>
        &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>&gt;&gt;<br>
               &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>&gt;<br>
        &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a> &lt;mailto:<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>&gt;&gt;&gt;&gt; wrote:<br>
<br>
<br>
<br>
                  Liu, Liang wrote:<br>
<br>
                      Hi everyone,<br>
                      I tried to use Gromacs to run REMD simulation.<br>
                      Firstly a set of (md#).mdp file are make and the<br>
        grompp<br>
               command<br>
                      can generate the same amount of (md#).tpr file.<br>
                      Assume # = 10,<br>
                      then I tried to run REMD as mdrun -s md.tpr -np 10<br>
               -replex 10.<br>
<br>
                      However, a fetal error shows as &quot;Need at least two<br>
               replicas for<br>
                      replica exchange (option -multi)&quot;, what is this<br>
        for? Thanks.<br>
<br>
<br>
<br>
                  You have to use the -multi flag.  Otherwise all mdrun<br>
        does is run<br>
                  md.tpr and try to do REMD with nothing.<br>
<br>
                                <a href="http://www.gromacs.org/______Documentation/How-tos/REMD#______Execution_Steps" target="_blank">http://www.gromacs.org/______<u></u>Documentation/How-tos/REMD#___<u></u>___Execution_Steps</a><br>

        &lt;<a href="http://www.gromacs.org/____Documentation/How-tos/REMD#____Execution_Steps" target="_blank">http://www.gromacs.org/____<u></u>Documentation/How-tos/REMD#___<u></u>_Execution_Steps</a>&gt;<br>
                      &lt;<a href="http://www.gromacs.org/____Documentation/How-tos/REMD#____Execution_Steps" target="_blank">http://www.gromacs.org/____<u></u>Documentation/How-tos/REMD#___<u></u>_Execution_Steps</a><br>

        &lt;<a href="http://www.gromacs.org/__Documentation/How-tos/REMD#__Execution_Steps" target="_blank">http://www.gromacs.org/__<u></u>Documentation/How-tos/REMD#__<u></u>Execution_Steps</a>&gt;&gt;<br>
                                &lt;<a href="http://www.gromacs.org/____Documentation/How-tos/REMD#____Execution_Steps" target="_blank">http://www.gromacs.org/____<u></u>Documentation/How-tos/REMD#___<u></u>_Execution_Steps</a><br>

        &lt;<a href="http://www.gromacs.org/__Documentation/How-tos/REMD#__Execution_Steps" target="_blank">http://www.gromacs.org/__<u></u>Documentation/How-tos/REMD#__<u></u>Execution_Steps</a>&gt;<br>
                      &lt;<a href="http://www.gromacs.org/__Documentation/How-tos/REMD#__Execution_Steps" target="_blank">http://www.gromacs.org/__<u></u>Documentation/How-tos/REMD#__<u></u>Execution_Steps</a><br>
        &lt;<a href="http://www.gromacs.org/Documentation/How-tos/REMD#Execution_Steps" target="_blank">http://www.gromacs.org/<u></u>Documentation/How-tos/REMD#<u></u>Execution_Steps</a>&gt;&gt;&gt;<br>
<br>
                  -Justin<br>
<br>
                  --     ==============================<u></u>______==========<br>
<br>
                  Justin A. Lemkul<br>
                  Ph.D. Candidate<br>
                  ICTAS Doctoral Scholar<br>
                  MILES-IGERT Trainee<br>
                  Department of Biochemistry<br>
                  Virginia Tech<br>
                  Blacksburg, VA<br>
                  jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> &lt;<a href="http://vt.edu" target="_blank">http://vt.edu</a>&gt; &lt;<a href="http://vt.edu" target="_blank">http://vt.edu</a>&gt;<br>
        &lt;<a href="http://vt.edu" target="_blank">http://vt.edu</a>&gt; | (540)<br>
<br>
               231-9080 &lt;tel:%28540%29%20231-9080&gt;<br>
                  &lt;tel:%28540%29%20231-9080&gt;<br>
<br>
                         <a href="http://www.bevanlab.biochem." target="_blank">http://www.bevanlab.biochem.</a>__<u></u>____<a href="http://vt.edu/Pages/Personal/justin" target="_blank">vt.edu/Pages/Personal/<u></u>justin</a><br>

        &lt;<a href="http://vt.edu/Pages/Personal/justin" target="_blank">http://vt.edu/Pages/Personal/<u></u>justin</a>&gt;<br></div></div>
               &lt;<a href="http://vt.edu/Pages/Personal/__justin" target="_blank">http://vt.edu/Pages/Personal/<u></u>__justin</a><div><div></div><div class="h5"><br>
        &lt;<a href="http://vt.edu/Pages/Personal/justin" target="_blank">http://vt.edu/Pages/Personal/<u></u>justin</a>&gt;&gt;<br>
<br>
                         &lt;<a href="http://www.bevanlab.biochem." target="_blank">http://www.bevanlab.biochem.</a>_<u></u>___<a href="http://vt.edu/Pages/Personal/justin" target="_blank">vt.edu/Pages/Personal/<u></u>justin</a><br>

        &lt;<a href="http://vt.edu/Pages/Personal/justin" target="_blank">http://vt.edu/Pages/Personal/<u></u>justin</a>&gt;<br>
                      &lt;<a href="http://www.bevanlab.biochem." target="_blank">http://www.bevanlab.biochem.</a>_<u></u>_<a href="http://vt.edu/Pages/Personal/justin" target="_blank">vt.edu/Pages/Personal/justin</a><br>

        &lt;<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a>&gt;&gt;<u></u>&gt;<br>
<br>
                  ==============================<u></u>______==========<br>
                  --     gmx-users mailing list    <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>&gt;<br>
               &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a> &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>&gt;<u></u>&gt;<br>
                  &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>&gt; &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>&gt;<u></u>&gt;__&gt;<br>
<br>
<br>
                         <a href="http://lists.gromacs.org/______mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/_____<u></u>_mailman/listinfo/gmx-users</a><br>
        &lt;<a href="http://lists.gromacs.org/____mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/____<u></u>mailman/listinfo/gmx-users</a>&gt;<br>
               &lt;<a href="http://lists.gromacs.org/____mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/____<u></u>mailman/listinfo/gmx-users</a><br>
        &lt;<a href="http://lists.gromacs.org/__mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/__<u></u>mailman/listinfo/gmx-users</a>&gt;&gt;<br>
                         &lt;<a href="http://lists.gromacs.org/____mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/____<u></u>mailman/listinfo/gmx-users</a><br>
        &lt;<a href="http://lists.gromacs.org/__mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/__<u></u>mailman/listinfo/gmx-users</a>&gt;<br>
               &lt;<a href="http://lists.gromacs.org/__mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/__<u></u>mailman/listinfo/gmx-users</a><br>
        &lt;<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/<u></u>mailman/listinfo/gmx-users</a>&gt;&gt;&gt;<br>
                  Please search the archive at<br>
                         <a href="http://www.gromacs.org/______Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/______<u></u>Support/Mailing_Lists/Search</a><br>
        &lt;<a href="http://www.gromacs.org/____Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists/Search</a>&gt;<br>
               &lt;<a href="http://www.gromacs.org/____Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists/Search</a><br>
        &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists/Search</a>&gt;&gt;<br>
                         &lt;<a href="http://www.gromacs.org/____Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists/Search</a><br>
        &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists/Search</a>&gt;<br>
               &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists/Search</a><br>
        &lt;<a href="http://www.gromacs.org/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists/Search</a>&gt;&gt;<u></u>&gt; before<br>
               posting!<br>
                  Please don&#39;t post (un)subscribe requests to the list.<br>
        Use the www<br>
                  interface or send it to <a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@gromacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@<u></u>gromacs.org</a>&gt;<br>
               &lt;mailto:<a href="mailto:gmx-users-request@" target="_blank">gmx-users-request@</a>__<a href="http://gromacs.org" target="_blank">gr<u></u>omacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@<u></u>gromacs.org</a>&gt;&gt;<br></div></div>
                  &lt;mailto:<a href="mailto:gmx-users-request@" target="_blank">gmx-users-request@</a><br>
        &lt;mailto:<a href="mailto:gmx-users-request@" target="_blank">gmx-users-request@</a>&gt;__<a href="http://gr__omacs.org" target="_blank">g<u></u>r__omacs.org</a> &lt;<a href="http://gromacs.org" target="_blank">http://gromacs.org</a>&gt;<div>
<div></div><div class="h5"><br>
               &lt;mailto:<a href="mailto:gmx-users-request@" target="_blank">gmx-users-request@</a>__<a href="http://gromacs.org" target="_blank">gr<u></u>omacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@<u></u>gromacs.org</a>&gt;&gt;&gt;.<br>
<br>
                  Can&#39;t post? Read<br>
               <a href="http://www.gromacs.org/______Support/Mailing_Lists" target="_blank">http://www.gromacs.org/______<u></u>Support/Mailing_Lists</a><br>
        &lt;<a href="http://www.gromacs.org/____Support/Mailing_Lists" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists</a>&gt;<br>
               &lt;<a href="http://www.gromacs.org/____Support/Mailing_Lists" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists</a><br>
        &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists</a>&gt;&gt;<br>
                  &lt;<a href="http://www.gromacs.org/____Support/Mailing_Lists" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists</a><br>
        &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists</a>&gt;<br>
               &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists</a><br>
        &lt;<a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists</a>&gt;&gt;&gt;<br>
<br>
<br>
<br>
<br>
               --         Best,<br>
               Liang Liu<br>
<br>
<br>
           --     ==============================<u></u>____==========<br>
<br>
           Justin A. Lemkul<br>
           Ph.D. Candidate<br>
           ICTAS Doctoral Scholar<br>
           MILES-IGERT Trainee<br>
           Department of Biochemistry<br>
           Virginia Tech<br>
           Blacksburg, VA<br>
           jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> &lt;<a href="http://vt.edu" target="_blank">http://vt.edu</a>&gt; &lt;<a href="http://vt.edu" target="_blank">http://vt.edu</a>&gt; | (540)<br>
        231-9080 &lt;tel:%28540%29%20231-9080&gt;<br>
           &lt;tel:%28540%29%20231-9080&gt;<br>
           <a href="http://www.bevanlab.biochem." target="_blank">http://www.bevanlab.biochem.</a>__<u></u>__<a href="http://vt.edu/Pages/Personal/justin" target="_blank">vt.edu/Pages/Personal/justin</a><br>
        &lt;<a href="http://vt.edu/Pages/Personal/justin" target="_blank">http://vt.edu/Pages/Personal/<u></u>justin</a>&gt;<br>
           &lt;<a href="http://www.bevanlab.biochem." target="_blank">http://www.bevanlab.biochem.</a>_<u></u>_<a href="http://vt.edu/Pages/Personal/justin" target="_blank">vt.edu/Pages/Personal/justin</a><br>
        &lt;<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a>&gt;&gt;<br>
<br>
           ==============================<u></u>____==========<br>
           --     gmx-users mailing list    <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>&gt;<br>
           &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a> &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>&gt;<u></u>&gt;<br>
           <a href="http://lists.gromacs.org/____mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/____<u></u>mailman/listinfo/gmx-users</a><br>
        &lt;<a href="http://lists.gromacs.org/__mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/__<u></u>mailman/listinfo/gmx-users</a>&gt;<br>
           &lt;<a href="http://lists.gromacs.org/__mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/__<u></u>mailman/listinfo/gmx-users</a><br>
        &lt;<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/<u></u>mailman/listinfo/gmx-users</a>&gt;&gt;<br>
           Please search the archive at<br>
           <a href="http://www.gromacs.org/____Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists/Search</a><br>
        &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists/Search</a>&gt;<br>
           &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists/Search</a><br>
        &lt;<a href="http://www.gromacs.org/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists/Search</a>&gt;&gt; before<br>
        posting!<br>
           Please don&#39;t post (un)subscribe requests to the list. Use the www<br>
           interface or send it to <a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@gromacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@<u></u>gromacs.org</a>&gt;<br>
           &lt;mailto:<a href="mailto:gmx-users-request@" target="_blank">gmx-users-request@</a>__<a href="http://gromacs.org" target="_blank">gr<u></u>omacs.org</a><br>
        &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@<u></u>gromacs.org</a>&gt;&gt;.<br>
           Can&#39;t post? Read<br>
        <a href="http://www.gromacs.org/____Support/Mailing_Lists" target="_blank">http://www.gromacs.org/____<u></u>Support/Mailing_Lists</a><br>
        &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists</a>&gt;<br>
           &lt;<a href="http://www.gromacs.org/__Support/Mailing_Lists" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists</a><br>
        &lt;<a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists</a>&gt;&gt;<br>
<br>
<br>
<br>
<br>
        --         Best,<br>
        Liang Liu<br>
<br>
<br>
    --     ==============================<u></u>__==========<br>
<br>
    Justin A. Lemkul<br>
    Ph.D. Candidate<br>
    ICTAS Doctoral Scholar<br>
    MILES-IGERT Trainee<br>
    Department of Biochemistry<br>
    Virginia Tech<br>
    Blacksburg, VA<br>
    jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> &lt;<a href="http://vt.edu" target="_blank">http://vt.edu</a>&gt; | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>

    &lt;tel:%28540%29%20231-9080&gt;<br>
    <a href="http://www.bevanlab.biochem." target="_blank">http://www.bevanlab.biochem.</a>__<a href="http://vt.edu/Pages/Personal/justin" target="_blank"><u></u>vt.edu/Pages/Personal/justin</a><br>
    &lt;<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a>&gt;<br>
<br>
    ==============================<u></u>__==========<br>
    --     gmx-users mailing list    <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
    &lt;mailto:<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>&gt;<br>
    <a href="http://lists.gromacs.org/__mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/__<u></u>mailman/listinfo/gmx-users</a><br>
    &lt;<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/<u></u>mailman/listinfo/gmx-users</a>&gt;<br>
    Please search the archive at<br>
    <a href="http://www.gromacs.org/__Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists/Search</a><br>
    &lt;<a href="http://www.gromacs.org/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists/Search</a>&gt; before posting!<br>
    Please don&#39;t post (un)subscribe requests to the list. Use the www<br>
    interface or send it to <a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@gromacs.org</a><br>
    &lt;mailto:<a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@<u></u>gromacs.org</a>&gt;.<br>
    Can&#39;t post? Read <a href="http://www.gromacs.org/__Support/Mailing_Lists" target="_blank">http://www.gromacs.org/__<u></u>Support/Mailing_Lists</a><br>
    &lt;<a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists</a>&gt;<br>
<br>
<br>
<br>
<br>
-- <br>
Best,<br>
Liang Liu<br>
</div></div></blockquote><div><div></div><div class="h5">
<br>
-- <br>
==============================<u></u>==========<br>
<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
MILES-IGERT Trainee<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a><br>
<br>
==============================<u></u>==========<br>
-- <br>
gmx-users mailing list    <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br>
<a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/<u></u>mailman/listinfo/gmx-users</a><br>
Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/Search" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists/Search</a> before posting!<br>
Please don&#39;t post (un)subscribe requests to the list. Use the www interface or send it to <a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@gromacs.org</a>.<br>
Can&#39;t post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists</a><br>
</div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br>Best,<br>Liang Liu<br>
</div>