On Sun, Dec 21, 2008 at 5:04 PM, Chitrita Dutta Roy <span dir="ltr"><<a href="http://chitrita.md">chitrita.md</a>@<a href="http://gmail.com">gmail.com</a>></span> wrote:<br><div class="gmail_quote"><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Thanks to all for helping me previously.<br>Now i am unable to arrange the .tpr file for position restraint mdrun on a quad core as in version 4.0.2 grompp -np is not a valid comand can anybody help me in building a tpr file for parallel run on 4 cores of a quad core machine .I have installed gromacs using Open MPI Library and my files are suffixed as _mpi.</blockquote>
<div> </div>try running: mpirun -np 4 mdrun_mpi options<br><br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">_______________________________________________<br>
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