<div dir="ltr">Hi Jochen,<br><br>Thanks for your response. That was some syntax error, now I am getting only single .edr file.<br>Is there any restriction in mdp file parameters while running it in parallel mode ?<br>And, is it necessary to run energy minimization and position restraining before running final mdrun ?<br>
<br>With Thanks,<br>Vivek<br><br><div class="gmail_quote">2008/8/27 Jochen Hub <span dir="ltr"><<a href="mailto:jhub@gwdg.de">jhub@gwdg.de</a>></span><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="Ih2E3d">vivek sharma wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi There,<br>
I am running gromacs in a parellel architecture using -np 20.<br>
Now I want to generate the energy plot using g_energy, but there are 20 .edr files.<br>
</blockquote></div>
Really? I get only one ener.edr, even in parallel mode. Or did you use -multi?<br>
<br>
Jochen<br>
<br>
<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;"><div class="Ih2E3d">
How should I use the g_energy command or which .edr file I should use?<br>
<br>
Any suggestion would be of great help..<br>
<br>
With Thanks,<br>
Vivek<br></div>
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-- <br>
************************************************<br>
Dr. Jochen Hub<br>
Max Planck Institute for Biophysical Chemistry<br>
Computational biomolecular dynamics group<br>
Am Fassberg 11<br>
D-37077 Goettingen, Germany<br>
Email: jhub[at]<a href="http://gwdg.de" target="_blank">gwdg.de</a><br>
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