[gmx-users] Syntax error -File dppc.itp line 1
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Tue Apr 7 20:57:09 CEST 2015
Hello,
im doing a DPPC simulation and when i use grompp to generate tpr file
this appears: Fatal error: Syntax error -File dppc.itp, line 1. Last
line read: '[moleculetype]' Invalid order for directive moleculetype.
What can i do? My dppc.itp includes
[ moleculetype ]
; Name nrexcl
DPPC 3
[ atoms ], [ pairs ], [ dihedrals ]
#ifdef POSRES_LIPID
#include "lipid_posre.itp"
#endif
And my topology file is:
; Include chain topologies
#include "dppc.itp"
#include "ffG53a6.itp"
#include "dppc_53a6.itp"
; Include water topology
#include "spc.itp"
; Include ion topologies
#include "gromos53a6_lipid.ff/ions.itp"
; System specifications
[ system ]
DPPC Bilayer,
[ molecules ]
; molecule name nr.
DPPC 128
SOL 3655
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