<div dir="ltr">Hi,<br><br>it doesn't depend on Gromacs. Ask your Cluster administrator or look at your Cluster software documentation. Besides the cluster depending lines, just put mdrun in the script as the command.<br>
<br>Roland<br><br><div class="gmail_quote">On Sun, Jul 20, 2008 at 8:57 PM, Manoj Kumar Singh <<a href="mailto:mksingh@clemson.edu">mksingh@clemson.edu</a>> 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,<br>
<br>
I am new with Gromacs and I don't know how to submit job on cluster. I am<br>
looking for a PBS script. I am using cluster made of Intel Xeon CPU E5345.<br>
The mpi Gromacs has already been installed.<br>
<br>
I will be very thankful for any response.<br>
<br>
Manoj<br>
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