[gmx-users] Incorrect number of atomtypes for dihedral

[Debashis Sahu]

Dear user,

                I have used this RB dihedral for thiourea in
ff-bonded.itp file, which is the error line mentioning below:

dih_THI_H_N_C_S                             23.10000  -2.10000
-21.00000   0.00000   0.00000   0.00000

dih_THI_H_N_C_N                             20.50160   0.00000
-20.50160   0.00000   0.00000   0.00000

The thiourea which I used in .rtp file given below:

[ THI ] ; thiourea added in by DEBASHIS SAHU
 [ atoms ]
    C	   opls_247          0.287	      1	
    S	   opls_038         -0.523            2	
   N1	   opls_249          0.076            3	
  H11   opls_250          0.021	      4
  H12	   opls_250          0.021	      5	
   N2	   opls_249          0.076            6	
  H21	   opls_250          0.021	      7	
  H22	   opls_250          0.021	      8	
 [ bonds ]
    C	  N1
    C	  N2
    C	   S
   N1    H11
   N1    H12
   N2    H21
   N2    H22
 [ dihedrals ]
;  ai    aj    ak    al   gromos type
   S     C    N1   H12     dih_THI_H_N_C_S
   S     C    N2   H22     dih_THI_H_N_C_S
   N2    C    N1   H11    dih_THI_H_N_C_N
   N1    C    N2   H21    dih_THI_H_N_C_N