[gmx-users] How to merge Self-made ammonia .top with tip4p

[Kenji Mochizuki]

Dear GMX users

Could you tell me how to make the topology file for ammonia in tip4p water?

I made topology file for ammonia by hand, as shown at end.
MD dose work when system has only ammonia molecules.

For ammonia in water, 
I had though it needed to add just two line at the top of .top file. 
------------------------
#include "ffoplsaa.itp"
#include "tip4p.itp"
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However, I got "Invalid order for directive defaults" in using grompp_d.
Should I add this new atoms information into ffnonbonded.itp directly ??

------------------------
;[ defaults ]
; nbfunc      comb-rule       gen-pairs       fudgeLJ fudgeQQ
;1               2               yes             0.5     0.8333
[ atomtypes ]
;name  bond_type    mass    charge   ptype          sigma      epsilon
FN            FN      0.0000  0.0000  A   3.39000e-01  1.414192e+00
FH            FH      0.0000  0.0000  A   0.00000e+00  0.00000e+00
[ moleculetype ]
; Name            nrexcl
AM             3
[ atoms ]
;   nr       type  resnr residue  atom   cgnr     charge       mass  typeB    chargeB
     1         FN      1    AM     N       1   -1.03500  14.000000
     2         FH      1    AM     H1      3    0.34500   1.000000
     3         FH      1    AM     H2      4    0.34500   1.000000
     4         FH      1    AM     H3      5    0.34500   1.000000
[ bonds ]
;  ai    aj funct  r  k
    1     2     1  1.0124e-01  5.0242e+05
    1     3     1  1.0124e-01  5.0242e+05
    1     4     1  1.0124e-01  5.0242e+05
[ pairs ]
;  ai    aj funct
[ angles ]
;  ai    aj    ak funct  theta   cth
    2     1     3     1  1.0670e+02  6.2802e+02
    2     1     4     1  1.0670e+02  6.2802e+02
    3     1     4     1  1.0670e+02  6.2802e+02
[ exclusions ]
1       2       3       4
2       1       3       4
3       1       2       4
4       1       2       3                                 
[ system ]
ammonia 
[ molecules ]
AM     11
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K.Mochi