[gmx-users] Re: topology and coordinate file not matching after grompp

chinnu657 cma1g09 at soton.ac.uk
Fri Aug 2 11:57:58 CEST 2013

oh, sorry.

So the error is:
Fatal error:
Topology include file "posre.itp" not found
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

The command I typed: grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr

My topol.top:
;GROMACS toplogy

;Include the force field
#include "oplsaa.ff/forcefield.itp"

; Include chain topologies

#include "topol_1AKI.itp"
#ifdef POSRES
#include "posre_1AKI.itp"

#include "topol_2CDS.itp"
#ifdef POSRES
#include "posre_2CDS.itp"

;Include water topology
#include "spce.itp"

;Include generic ion topology
#include "ions.itp"

[ system ]
Two proteins in water

[ molecules ]	#mols
Protein_1AKI	1
Protein_2CDS	1
SOL         27020
CL-               16

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