[gmx-users] Molecule redefined

Justin A. Lemkul jalemkul at vt.edu
Fri Dec 10 14:51:22 CET 2010



Tanos Celmar Costa Franca wrote:
> 
> Dear gmx users,
> Does someone knows what does it means the error mesage below and how do 
> I fix it ?
> 
> Program grompp, VERSION 4.0.3
> Source code file: ../../../../src/kernel/toppush.c, line: 1006
> 
> Fatal error:
> moleculetype NDP is redefined
> 

You have two (or more) instances of the same [moleculetype].  Either you've 
#included an .itp file multiple times, or you've otherwise assigned repetitive 
names.

-Justin

> I thank i advance for any help.
> Tanos Celmar Costa Franca - D.Sc
> Coordenador do Programa de Pos-graduacão em Química
> Secão de Engenharia Química - SE/5
> Instituto Militar de Engenharia - IME
> Rio de Janeiro - RJ
> Brasil
> 
> 
> 
> 
> 
> ----------------------------------------------------------------
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> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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