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On 29/02/2012 3:10 PM, priya thiyagarajan wrote:
<blockquote
cite="mid:CAEuVTxABjv8YFrqoW_+rXOVKJgM20AiTKyVUVFHoa17rnbAYdQ@mail.gmail.com"
type="cite">hello sir,<br>
<pre><font size="4">I performed simulation for 30ns, because of queue time limit my run terminated at 11.6ns..
i thought of analysing my trajectory file.. so generated pdb file from trr using dump option..
when i visualize the pdb,i noted that my protein structure got fragmented..
when i visualize my npt and nvt structure ,its looking good.. but my md structure getting framented..
what is the possible reason for this fragmentation.</font>
</pre>
</blockquote>
<font size="4"><br>
See </font><a
href="http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions">http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions</a>
for likely explanation and solution.<br>
<br>
Mark<br>
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