[gmx-users] CNT

[trevor brown]

Dear friends,
I have the following topology for system including CNT+peptide+water
When I grompp for minimization, I got the following error. How can I solve
it?

best wishes
trevor

WARNING 1 [file ffbonded.itp, line 2703]:
  Overriding Bond parameters.
  old: 0.151 292880 0.151 292880
  new: C  C 1   0.14210    478900

ERROR 1 [file ffbonded.itp, line 2709]:
  Not enough parameters

-------------------------------------------------------
Program grompp, VERSION 4.5.3
Source code file: topio.c, line: 675
Fatal error:
Syntax error - File forcefield.itp, line 20
Last line read:
'1  3  yes  0.5 0.5'
Found a second defaults directive.



TOPOLOGY
; Include forcefield parameters
#include "oplsaa.ff/forcefield.itp"

; Include topology for CNT
#include "cnt.itp"
; Include topology for UW1
#include "uw1.itp"
; Include water topology
#include "oplsaa.ff/spc.itp"
[ system ]
; Name
Protein and CNT in water
[ molecules ]
; Compound        #mols
Protein             1
CNT                 1
SOL                 4019
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