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<pre>Check this page for clarification<o:p></o:p></pre>
<pre><o:p> </o:p></pre>
<pre><a href="http://www.gromacs.org/Documentation/Errors#X_particles_communicated_to_PME_node_Y_are_more_than_a_cell_length_out_of_the_domain_decomposition_cell_of_their_charge_group">http://www.gromacs.org/Documentation/Errors#X_particles_communicated_to_PME_node_Y_are_more_than_a_cell_length_out_of_the_domain_decomposition_cell_of_their_charge_group</a><o:p></o:p></pre>
<pre>I guess this issue was also addressed before :<o:p></o:p></pre>
<pre><a href="http://lists.gromacs.org/pipermail/gmx-users/2011-February/058868.html">http://lists.gromacs.org/pipermail/gmx-users/2011-February/058868.html</a><o:p></o:p></pre>
<pre><o:p> </o:p></pre>
<pre>Cheers,<o:p></o:p></pre>
<pre>EB<o:p></o:p></pre>
<pre><o:p> </o:p></pre>
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<p class="MsoNormal"><b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif"">From:</span></b><span lang="EN-US" style="font-size:10.0pt;font-family:"Tahoma","sans-serif""> gmx-users-bounces@gromacs.org [mailto:gmx-users-bounces@gromacs.org]
<b>On Behalf Of </b>Seera Suryanarayana<br>
<b>Sent:</b> Tuesday, 19 June 2012 4:50 PM<br>
<b>To:</b> gmx-users@gromacs.org<br>
<b>Subject:</b> [gmx-users] Regarding error.<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
<p class="MsoNormal" style="margin-bottom:12.0pt">Dear all gromacs users,<br>
While i am running the commond "mdrun -deffnm nvt" i am getting the following error.<br>
<br>
Fatal error:<br>
1 particles communicated to PME node 1 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x.<br>
This usually means that your system is not well equilibrated.<br>
<br>
Kindly tell me how to over come this error.<br>
<br>
Suryanarayana Seera,<br>
JRF,<br>
India. <o:p></o:p></p>
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