<div class="gmail_extra"><br><br><div class="gmail_quote">---------- Forwarded message ----------<br>From: <b class="gmail_sendername">Rossen Apostolov</b> <span dir="ltr"><<a href="mailto:rossen@kth.se">rossen@kth.se</a>></span><br>
Date: Mon, Apr 23, 2012 at 11:53 PM<br>Subject: Re: error in using gromacs for MD simulation<br>To: vineetha mandlik <<a href="mailto:vinee2here@gmail.com">vinee2here@gmail.com</a>><br><br><br>
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<br>
Rossen</font></span><div><div class="h5"><br>
<br>
On 2012-04-23 17.12, vineetha mandlik wrote:
<blockquote type="cite">
Respected Sir,
<div><br>
</div>
<div> Thanks for your reply. I had written to you previously
regarding the error in the grompp command when running the MD
simulation of a protein, structure was obtaining using homology
modelling approach.</div>
<div><br>
</div>
<div>The error reported was : Number of coordinates in coordinate
file (z_b4em.gro) does not match that of topology file (z.top).
We are however not able to run the nohup command because of the
above mentioned error. I m sending you the pdb,top and gro
files along with a file containing the commands and output
obtained.</div>
<div><br>
</div>
<div>Your help in resolving this issue would be highly
appreciated. </div>
<div><br>
</div>
<div>Thanking you.</div>
<div>Vineetha.</div>
</blockquote>
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