[gmx-users] grompp/lipid.itp

[nanyu101]

Dear all gmx-users,
  I have ran my system in Gromos96 43a1.The lipid.itp is done for Gromacs,so can I use it to my system?If not,how can I change it to Gromos96 43a1?
  I have taken it to my system without any change like below.
 Include forcefield parameters
#include "ffG43a1.itp"
#include "lipid.itp"
#include "dppc.itp"


[ moleculetype ]
; Name            nrexcl
Protein             3

[ atoms ]
;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB    chargeB      massB
     1        CH3      1    ESF     C1      1          0     15.035   ; qtot 0
     2          C      1    ESF     C2      2       0.58     12.011   ; qtot 0.58
     3          O      1    ESF     O2      2      -0.38    15.9994   ; qtot 0.2
     4         OA      1    ESF     O1      3      -0.36    15.9994   ; qtot -0.16
     5        CH1      1    ESF     C3      3       0.16     13.019   ; qtot 0
................
; Include Position restraint file
#ifdef POSRES
#include "posre.itp"
#endif

; Include water topology
#ifdef FLEX_SPC
#include "flexspc.itp"
#else
#include "spc.itp"
#endif

#ifdef POSRES_WATER
; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
   1    1       1000       1000       1000
#endif

[ system ]
; Name
Ion channel

[ molecules ]
; Compound        #mols
Protein             1
DPPC               96
SOL              6723


My ffG43a1.itp include four itp files,ffG43a1bon.itp,ffG43a1nb.itp,ffgmx_lipbond.itp and ffgmx_lipnb.itp.Should I do this?
When I run grompp,the system told me below:

processing topology...
Cleaning up temporary file gromppEbxfdm
Fatal error: Bonded/nonbonded atom type 'CA' not found!

I have added the atomtype in lipid.itp in ffG43a1.atp and added the non_bond parameters in lipid.itp to ffgmx_lipnb.itp.

Would you please give me some advice about this?

Thanks!!

Best wishes,
XIanhui Wu

______________________________________

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