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

[chinnu657]

I actually have another problem. When doing my grompp for nvt equilibration,
I egt the error, Topology include file "posre.itp" not found. In my topology
file I wrote this:

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


; Include chain topologies
#include "topol_1AKI.itp"
#include "topol_2CDS.itp"

; Include Position restraint file
#ifdef POSRES
#include "1AKI_posre.itp"
#include "2CDS_posre.itp"
#endif

If the problem is that I need to strictly make it #include "posre.itp", then
how do I combine the two posre.itp files together?

chinnu



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