Dear Justin
I appreciate for your reply.I used -maxwarn option because grompp gave me:
WARNING 1 [file ffbonded.itp, line 2705]:
Overriding Bond parameters.
old: 0.151 292880 0.151 292880
new: C C 1 0.1418 478900
I guess I am not using improper in the topology file.my cnt.top file looks like:
; Include forcefield parameters
#include "./oplsaa.ff/forcefield.itp"
[ moleculetype ]
; Name nrexcl
CNT 3
[ atoms ]
; nr type resnr residue atom cgnr charge mass typeB
chargeB massB
1 opls_995 1 UNK C 1 0 12.011 ; qtot 0
2 opls_995 1 UNK C 2 0 12.011 ; qtot 0
3 opls_996 1 UNK C 3 0 12.011 ; qtot 0
......
[ bonds ]
; ai aj funct c0 c1 c2 c3
1 2 1 1.420000e-01 4.789000e+05 1.420000e-01 4.789000e+05
1 73 1 1.420000e-01 4.789000e+05 1.420000e-01 4.789000e+05
2 4 1 1.420000e-01 4.789000e+05 1.420000e-01 4.789000e+05
.....
[ pairs ]
; ai aj funct c0 c1 c2 c3
1 3 1
1 5 1
1 71 1
......
[ angles ]
; ai aj ak funct c0 c1 c2 c3
2 1 73 1 1.180000e+02 5.622000e+02 1.180000e+02 5.622000e+02
1 2 4 1 1.190000e+02 5.622000e+02 1.190000e+02 5.622000e+02
4 3 9 1 1.200000e+02 5.622000e+02 1.200000e+02 5.622000e+02
........
[ dihedrals ]
; ai aj ak al funct c0 c1
c2 c3 c4 c5
73 1 2 4 3 1.910000e+02 5.000000e+00 3.000000e+00
1.910000e+02 5.000000e+00 3.000000e+00
2 1 73 72 3 2.520000e+02 5.000000e+00 3.000000e+00
2.520000e+02 5.000000e+00 3.000000e+00
1 2 4 3 3 2.240000e+02 5.000000e+00 3.000000e+00
2.240000e+02 5.000000e+00 3.000000e+00
........
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