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<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>Dear Gromacs
users,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>I am trying to
use a customized topology for my simulation runs. I am getting a following
error while generating a tpr file using grompp.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>-------------------------------------------------------<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>Program grompp,
VERSION 3.3.1<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>Source code file:
toppush.c, line: 1180<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>Fatal error:<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>Incorrect number
of parameters - found 3, expected 2 or 4.<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>-------------------------------------------------------<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>I am not
performing any free energy calculations in my simulation run & I am also
able to generate and successfully run simulations using Gromacs version 3.2.1<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'><o:p> </o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>With Regards,<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'>Gurpreet Singh<o:p></o:p></span></font></p>
<p class=MsoNormal><font size=1 face="MS Reference Sans Serif"><span
style='font-size:9.0pt;font-family:"MS Reference Sans Serif"'><o:p> </o:p></span></font></p>
<p class=MsoNormal><b><font size=1 face="MS Reference Sans Serif"><span
style='font-size:8.0pt;font-family:"MS Reference Sans Serif";font-weight:bold'>-------------------------------------------------<o:p></o:p></span></font></b></p>
<p class=MsoNormal><st1:place w:st="on"><st1:PlaceType w:st="on"><b><font
size=1 face="MS Reference Sans Serif"><span style='font-size:8.0pt;
font-family:"MS Reference Sans Serif";font-weight:bold'>University</span></font></b></st1:PlaceType><b><font
size=1 face="MS Reference Sans Serif"><span style='font-size:8.0pt;font-family:
"MS Reference Sans Serif";font-weight:bold'> of <st1:PlaceName w:st="on">Dortmund</st1:PlaceName></span></font></b></st1:place><br>
<b><font size=1 face="MS Reference Sans Serif"><span style='font-size:8.0pt;
font-family:"MS Reference Sans Serif";font-weight:bold'>Department of Chemistry<br>
Physical Chemistry I - Biophysical Chemistry<br>
Otto-Hahn Str. 6<br>
D-44227 <st1:City w:st="on">Dortmund</st1:City><br>
<st1:country-region w:st="on"><st1:place w:st="on">Germany</st1:place></st1:country-region><br>
Office: C1-06 room 176<br>
Phone: +49 231 755 3916<o:p></o:p></span></font></b></p>
<p class=MsoNormal><b><font size=1 face="MS Reference Sans Serif"><span
style='font-size:8.0pt;font-family:"MS Reference Sans Serif";font-weight:bold'>Fax:
+49 231 755 3901<o:p></o:p></span></font></b></p>
<p style='margin:0cm;margin-bottom:.0001pt'><b><font size=1
face="MS Reference Sans Serif"><span style='font-size:8.0pt;font-family:"MS Reference Sans Serif";
font-weight:bold'>-------------------------------------------------</span></font></b><b><font
size=1 face="MS Reference Sans Serif"><span style='font-size:8.0pt;font-family:
"MS Reference Sans Serif";font-weight:bold'><o:p></o:p></span></font></b></p>
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