[gmx-users] .itp file error

[sumair ahmed]

Dear user,
After correcting many things in .itp file, still I am finding error as "1    1    yes    1.0    1.0". Can you please .itp file.
[ defaults ]
;nbfunc    comb-rule    gen-pairs    fudgeLJ    fudgeQQ
1    1    yes    1.0    1.0
                              
[ atomtypes ]
;name    atnum    mass        charge    ptype    sigma        epsilon
Na    11    22.98977   1.000        A    3.33045e-01    1.15980e-02
O        8    15.99940    -0.598      A    2.86000e-01    8.78640e-01
O        8    15.99940    -0.598      A    2.86000e-01    8.78640e-01
O        8    15.99940    -0.598      A    2.86000e-01    8.78640e-01
N        7    14.00670    0.794       A    3.15000e-01    7.11280e-01

[ nonbond_params ]
;i    j    func    sigma        epsilon
Na      Na    1    3.33045e-01    1.15980e-02    
Na        O    1    3.33045e-01    1.15980e-02    
Na        N    1    3.33045e-01    1.15980e-02

[ moleculetype ]
; molname   nrexcl
NaN         4                       

[ constraints ]                    
; ai    aj    funct    b0
  1    2    2    0.16000          
  1    3    2    0.16000
  1    4    2    0.16000
  1    5    2    0.16000

[ exclusions ]       
1    2
1    3
1    4
1    5
2    1
3    1
4    1
5    1I was trying to make simple sodium nitrate (NaNO3) molecules. I have made .pdb file. then I got .gro file from pdb2gmx. But, I got struck in .itp file. Please help me. ( Na is nonbonded to any of N and O in NaNO3. And Na is also nonbonded to Na of 2nd NaNO3 molecule and so on. N and O are bonded atoms). I have taken 50 NaNO3 molecules. If possible correct my .itp file. With Regards, SUMAIR FAISAL AHMED.