[gmx-users] Invalid order for directive bondtypes

[Elham Gholamrezai]

Dear all

 I am working on simulation of hydrogen adsorption on 
graphene sheet, and I need to adopte my force field parameters, new 
force field folder is made and put in top directory of gromacs. For this
 reason, I modified "charmm27.ff" and included new files (bond.itp, 
nonbond.itp, n2t, atp, rtp, force field.itp) in it first, then topology 
file was produced by g_x2top command without any error. But when I 
grompp for minimization, I got the following error. How can I solve it? I
 used this command for grompp 

 
 grompp -f em.mdp -c conf.gro -p topol.top -o em.tpr -n index.ndx

(also conf.gro include hydrogen and graphene sheet)


Fatal error:
Syntax error - File ffbonded.itp, line 1
Last line read:
'[ bondtypes ]'
Invalid order for directive bondtypes

this is my ffbonded.itp:

[ bondtypes ]
; i      j       func       b0      kb
C     C        1        0.1375   0.0
C     H        1        0.108    0.0

[ angletypes ]
; i      j      k      func      th0      cth       ub0      cub
C     C      C       5       120.00   0.0     0.24162  29288.0
C     C      H       5       120.00   0.0     0.21525  18409.6

[ dihedraltypes ]
; i      j      k       l      func    phi0    cp      mult
C      C      C       C      9       180.00  0.0     2
C      C      C       H      9       180.00  0.0     2
H      C      C       H      9       180.00  0.0     2


and this is the first line of topol.top file

;
;    File 'topol.top' was generated
;    By user: onbekend (0)
;    On host: onbekend
;    At date: Mon Nov 25 23:10:04 2013
;
;    This is a include topology file
;
;    It was generated using program:
;    Generated by x2top
;
;    Command line was:
;    g_x2top -f a.gro -o topol.top -ff select
;
;    Force field was read from the standard Gromacs share directory.
;

; Include forcefield parameters
#include "final.ff/forcefield.itp"


any help is appreciated.