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On 31/01/2012 5:34 PM, Anushree Tripathi wrote:
<blockquote
cite="mid:CAAx43BxrwnhJi+Srczyoyd+JKwto9d3dWL6RCgUiKTXyTouN3Q@mail.gmail.com"
type="cite">How could I define the group for DPPC ?<br>
</blockquote>
<br>
See <a
href="http://www.gromacs.org/Documentation/File_Formats/Index_File">http://www.gromacs.org/Documentation/File_Formats/Index_File</a><br>
<br>
Mark<br>
<br>
<blockquote
cite="mid:CAAx43BxrwnhJi+Srczyoyd+JKwto9d3dWL6RCgUiKTXyTouN3Q@mail.gmail.com"
type="cite"><br>
<div class="gmail_quote">On Tue, Jan 31, 2012 at 11:57 AM, Mark
Abraham <span dir="ltr"><<a moz-do-not-send="true"
href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span>
wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0
.8ex;border-left:1px #ccc solid;padding-left:1ex">
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<div class="h5"> On 31/01/2012 5:14 PM, Anushree Tripathi
wrote:
<blockquote type="cite">When I run the command (i.e., <font
face="Arial"><font size="3"><font face="courier"
size="-1">grompp -f nvt.mdp -c em.gro -p
topol.top -n index.ndx -o nvt.tpr)for volume
equilibration.<br>
<br>
I am getting the error:<br>
Fatal error:<br>
Group DPPC not found in indexfile.<br>
Maybe you have non-default goups in your mdp
file, while not using the '-n' option of grompp.<br>
In that case use the '-n' option.<br>
<br>
Please guide me.<br>
</font></font></font><br>
</blockquote>
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<font size="-1"><font face="courier"><br>
Exactly like it says, you are using a group (DPPC) in
your .mdp file that is not defined in the default
groups. Either define it or stop using it.<span
class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br>
</font></span></font></font> </div>
<br>
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