[gmx-users] topolbuild (Fatal error. Source code file: readmol2.c, line: 162)

[leila karami]

my mol2file is as follows:

  @<TRIPOS>MOLECULE
C:\Users\scc\Desktop\22.pdb
 30 31 0 0 0
SMALL
GASTEIGER

@<TRIPOS>ATOM
      1  O2         0.9991    0.0511   -0.0859 O2      1  C1         -0.2444
      2  C2         2.2266    0.0511   -0.0859 Car     1  C1          0.3522
      3  N3         2.8760    2.9655   -4.9849 Nar     1  C1         -0.1783
      4  C4         2.2266    2.3904   -4.0182 Car     1  C1          0.1230
      5  N4         0.8301    2.3904   -4.0182 Npl     1  C1         -0.3430
      6  C5         2.8981    1.7958   -3.0187 Car     1  C1         -0.0056
      7  C6         2.2266    1.2012   -2.0192 Car     1  C1          0.0152
      8  N1         2.8760    0.6262   -1.0526 Nar     1  C1         -0.2700
      9  C1*        4.3105    0.6262   -1.0526 C3      1  C1          0.1680
     10  H1*        4.6672    1.1419   -1.9196 H       1  C1          0.0867
     11  O4*        6.2372   -0.7744   -3.5532 O3      1  C1         -0.3456
     12  C4*        4.8172   -0.7744   -3.5532 C3      1  C1          0.1126
     13  H4*        4.4605   -1.2673   -4.4334 H       1  C1          0.0647
     14  C3*        4.3105   -1.5070   -2.3216 C3      1  C1          0.1135
     15  H3*        3.2405   -1.5070   -2.3216 H       1  C1          0.0647
     16  O3*        4.7839   -2.8457   -2.3391 O3      1  C1         -0.3864
     17  C2*        4.8172   -0.8068   -1.0713 C3      1  C1          0.1286
     18  H2*        5.8872   -0.8068   -1.0713 H       1  C1          0.0665
     19  O2*        4.3439   -1.4913    0.0793 O3      1  C1         -0.3847
     20  C5*        4.3105    0.6586   -3.5345 C3      1  C1          0.0730
     21  O5*        2.8905    0.6586   -3.5345 O3      1  C1         -0.3924
     22  H41        0.3301    1.9477   -3.2739 H       1  C1          0.1437
     23  H42        0.3301    2.8332   -4.7625 H       1  C1          0.1437
     24  H5         3.9301    1.7958   -3.0187 H       1  C1          0.0666
     25  H6         1.1946    1.2012   -2.0192 H       1  C1          0.0812
     26  H3*        5.7839   -2.8457   -2.3391 HO      1  C1          0.2100
     27  H2*        4.6772   -2.4340    0.0670 HO      1  C1          0.2101
     28 H5*1        4.6672    1.1515   -2.6543 H       1  C1          0.0584
     29 H5*2        4.6672    1.1743   -4.4015 H       1  C1          0.0584
     30  H5*        2.5572    0.1979   -4.3571 HO      1  C1          0.2095
@<TRIPOS>BOND
     1     1     2    2
     2     2     3   ar
     3     2     8   ar
     4     3     4   ar
     5     4     5    1
     6     4     6   ar
     7     5    22    1
     8     5    23    1
     9     6     7   ar
    10     6    24    1
    11     7     8   ar
    12     7    25    1
    13     8     9    1
    14     9    11    1
    15     9    17    1
    16     9    10    1
    17    11    12    1
    18    12    13    1
    19    12    14    1
    20    12    20    1
    21    14    17    1
    22    14    16    1
    23    14    15    1
    24    16    26    1
    25    17    18    1
    26    17    19    1
    27    19    27    1
    28    20    21    1
    29    20    28    1
    30    20    29    1
    31    21    30    1 <leilakarami at dena.kntu.ac.ir>