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On 25/11/2011 7:09 PM, yp sun wrote:
<blockquote
cite="mid:1322208567.91302.YahooMailClassic@web15601.mail.cnb.yahoo.com"
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<div>Dear Sir'</div>
<div> </div>
<div>When I ran the grompp as following</div>
<div> </div>
<div>grompp -v -f md.mdp -c pr.gro -p RI-10.top -o md.tpr</div>
<div> </div>
<div>a error information appeared: </div>
<div> </div>
<div><br>
</div>
<div>Program grompp, VERSION 3.3.1<br>
Source code file: readir.c, line: 789</div>
<div>Fatal error:<br>
<font style="BACKGROUND-COLOR: #ffff00">Group Ptotein</font>
not found in indexfile<br>
Maybe you have non-default goups in your mdp file, while
not using the '-n' opti on of grompp.<br>
In that case use the '-n' option</div>
<div> </div>
<div>I don't know which file "<font
style="BACKGROUND-COLOR: #ffff00">Group Ptotein</font><font
style="BACKGROUND-COLOR: #ffffff">" </font><font
style="BACKGROUND-COLOR: #ffffff">is in and where I
should make change.</font></div>
<div> </div>
<div><font style="BACKGROUND-COLOR: #ffffff">Can you help
me? Thanks in advance.</font></div>
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<br>
You have referred to this group somewhere in your .mdp file,
probably in error for "Protein". grompp went looking in the index
file (possibly generated by default) and was confused when it didn't
find what you told it was there to be found.<br>
<br>
Mark<br>
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