How could I define the group for DPPC ?<br><br><div class="gmail_quote">On Tue, Jan 31, 2012 at 11:57 AM, Mark Abraham <span dir="ltr"><<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>></span> wrote:<br>
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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>
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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>
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