Thank you all,<br><br>the xmgrace -nxy <br>worked.<br><br>but you're right, it's more useful to see the fluctuations.<br><br>Thanks<br>Carla<br><br><div class="gmail_quote">On Tue, Jun 1, 2010 at 10:02 AM, Erik Marklund <span dir="ltr"><<a href="mailto:erikm@xray.bmc.uu.se">erikm@xray.bmc.uu.se</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Mark Abraham skrev:<div class="im"><br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
----- Original Message -----<br>
From: Carla Jamous <<a href="mailto:carlajamous@gmail.com" target="_blank">carlajamous@gmail.com</a>><br>
Date: Tuesday, June 1, 2010 17:48<br>
Subject: [gmx-users] g_energy & graph .xvg<br>
To: Discussion list for GROMACS users <<a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a>><br>
<br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi everyone, please I have a practical question that may sound stupid but I can't figure out the answer.<br>
<br>
When I run g_energy I type the Energies I need, for example:<br>
10 (Potential)<br>
14 (Kinetic)<br>
<br>
<br>
</blockquote>
12 (Total)<br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
My problem is even though I get the averages of the 3 energies on my screen, I can't get the three energies on the same graph (.xvg file).<br>
<br>
</blockquote>
<br>
Well they have wildly different values, so plotting all three together means you can't see any fluctuations, so you might as well just look at the averages... If you want all three with fluctuations, then you'll need to play with the plotting program's functionality for representations and axes (for xmgrace). See <a href="http://www.gromacs.org/Documentation/How-tos/Graphing_Data" target="_blank">http://www.gromacs.org/Documentation/How-tos/Graphing_Data</a> for various ideas on plotting.<br>
<br>
Mark<br>
<br>
</blockquote></div>
Zooming is of course an option. I for one find it helpful to inspect the energies as a function of time to get an idea of the convergence time for certain properties and to detect any wierdness in my setup that may have ruined my simulations.<div class="im">
<br>
<br>
-- <br>
-----------------------------------------------<br>
Erik Marklund, PhD student<br>
Dept. of Cell and Molecular Biology, Uppsala University.<br>
Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>
phone: +46 18 471 4537 fax: +46 18 511 755<br>
<a href="mailto:erikm@xray.bmc.uu.se" target="_blank">erikm@xray.bmc.uu.se</a> <a href="http://folding.bmc.uu.se/" target="_blank">http://folding.bmc.uu.se/</a><br>
<br>
-- <br></div><div><div></div><div class="h5">
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