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On 31/01/2012 5:14 PM, Anushree Tripathi wrote:
<blockquote
cite="mid:CAAx43ByV6tuSb8dow=ix=fQCTew7eNYKBF=RyYzT6eCE46-rog@mail.gmail.com"
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>
<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.<br>
<br>
Mark<br>
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