[gmx-users] pairing error

Justin A. Lemkul jalemkul at vt.edu
Thu Aug 6 21:48:44 CEST 2009



mohit kumar wrote:
> im running energy minimization for POPC bilayer but its showing error 
> which i cant figure out
> 
> -- -------------------------------------------------------
> Program grompp, VERSION 4.0.5
> Source code file: topdirs.c, line: 99
> 
> Fatal error:
> Invalid pairs type 0
> 
> what does this pair type mean and how can i solve it?? plz help me
> 

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.

-Justin

> 
> 
> MOHIT KUMAR
> Molecular Biochemistry & Biophysics
> Graduate Student
> Illinois Institute of Technology
> Chicago,IL, USA
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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