<p>Hi Rohit,</p>
<p>Have you checked the atoms around 3460? It seems there's something wrong with your starting structure.</p>
<p>Cheers,</p>
<p>Tsjerk</p>
<p><blockquote type="cite">On Feb 9, 2012 2:09 PM, <<a href="mailto:rarora@ens-cachan.fr">rarora@ens-cachan.fr</a>> wrote:<br><br>Hi Lina,<br>
<br>
I am sorry, I think I forgot to mention that I did perform energy minimisation using Steep-Descent for 5000 steps, before NVT.<br>
<br>
I was so engrossed in other details that I forgot to mention it!<p><font color="#500050">
Quoting lina <<a href="mailto:lina.lastname@gmail.com">lina.lastname@gmail.com</a>>:
> On Thu, Feb 9, 2012 at 8:44 PM, <rarora@ens-cachan.f...</font></p>
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