where should I use -n option in the command (i.e., grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr).Please tell me.<br><br><div class="gmail_quote">On Mon, Feb 6, 2012 at 4:58 PM, Mark Abraham <span dir="ltr"><<a 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"><div class="HOEnZb"><div class="h5">On 6/02/2012 8:28 PM, Anushree Tripathi wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Inspite of having DPPC in index file,when I run the command ( i.e., grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr ),I am getting the error:<br>
<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>
Now, what to do? Please guide me.<br>
</blockquote>
<br></div></div>
You seem not to have used the -n option. You could try using it. :)<span class="HOEnZb"><font color="#888888"><br>
<br>
Mark<br>
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