[gmx-users] Minimization Problem

[Ednilsom Orestes]

Dear Gromacs community

I am trying to run a simulation of choline molecule but found various
errors concerning to bonds, angles and dihedrals during the minimization.



Part of the top file (line number in the first column):
...
29 [ bonds ]
30;  ai    aj funct
31    1      4     1    ;     N   CT3
32    1    14     1    ;     N   CT4
33    1      2     1    ;     N   CT1
34    1      3     1    ;     N   CT2
35    2    12     1    ;   CT1  HC12
36    2    13     1    ;   CT1  HC11
37    2    11     1    ;   CT1  HC13
38    3      7     1    ;   CT2  HC21
39    3      6     1    ;   CT2  HC22
40    3      5     1    ;   CT2  HC23
41    4      8     1    ;   CT3  HC31
42    4    10     1    ;   CT3  HC32
43    4      9     1    ;   CT3  HC33
44   14    17     1    ;   CT4  HC41
45   14    15     1    ;   CT4   CT5
46   14    16     1    ;   CT4  HC42
47   15    20     1    ;   CT5  HC51
48   15    18     1    ;   CT5    OH
49   15    19     1    ;   CT5  HC52
50   21    18     1    ;    HO    OH
...


Errors:

ERROR 1 [file topol_choline.top, line 49]:
    No Default Bond type

ERROR 2 [file topol_choline.top, line50]:
    No Default Bond type

and so on with some of the angles and dihedrals...

Does anybody have a clue on how to fix it?

Thanks in advance.

Ednilsom