but i dnt find any 'type' column in my topology file..the grompp programm with this top file works gud in 3.3 version..im having 4.0.5 version..is that can be issue?? shud i try in 3.3 version<br><br><div class="gmail_quote">
On Thu, Aug 6, 2009 at 2:48 PM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu">jalemkul@vt.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div class="im"><br>
<br>
mohit kumar wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
im running energy minimization for POPC bilayer but its showing error which i cant figure out<br>
<br>
-- -------------------------------------------------------<br>
Program grompp, VERSION 4.0.5<br>
Source code file: topdirs.c, line: 99<br>
<br>
Fatal error:<br>
Invalid pairs type 0<br>
<br>
what does this pair type mean and how can i solve it?? plz help me<br>
<br>
</blockquote>
<br></div>
The error message is pretty clear. Somewhere within the topology, you have a "0" in the "type" column, which doesn't correspond to any known pair type.<br>
<br>
-Justin<br>
<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;"><div class="im">
<br>
<br>
MOHIT KUMAR<br>
Molecular Biochemistry & Biophysics<br>
Graduate Student<br>
Illinois Institute of Technology<br>
Chicago,IL, USA<br>
<br>
<br></div>
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-- <br>
========================================<br>
<br>
Justin A. Lemkul<br>
Ph.D. Candidate<br>
ICTAS Doctoral Scholar<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | (540) 231-9080<br>
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</blockquote></div><br><br clear="all"><br>-- <br>MOHIT KUMAR<br>Molecular Biochemistry & Biophysics<br>Graduate Student<br>Illinois Institute of Technology<br>Chicago,IL, USA<br><br>