[gmx-users] the pdb file => input / output error

[Chih-Ying Lin]

HI
Here is my pdb file.
When I typed
pdb2gmx -f xx.pdb -p xx.top -o xx.gro

it showed input / output error.
Could anyone point out what the mistakes I made?
Thanks a lot
Lin


REMARK  MOL
ATOM      1  C3  MOL     1       3.747   1.679   1.116
ATOM      2  H3  MOL     1       4.400   1.022   1.684
ATOM      3  C2  MOL     1       2.378   1.705   1.382
ATOM      4  H2  MOL     1       1.963   1.062   2.156
ATOM      5  C1  MOL     1       1.544   2.555   0.658
ATOM      6  H1  MOL     1       0.477   2.581   0.870
ATOM      7  C6  MOL     1       2.077   3.378  -0.333
ATOM      8  H5  MOL     1       1.430   4.052  -0.892
ATOM      9  C5  MOL     1       3.444   3.339  -0.608
ATOM     10  H4  MOL     1       3.865   3.979  -1.378
ATOM     11  C4  MOL     1       4.281   2.486   0.110
ATOM     12  N1  MOL     1       5.694   2.490  -0.176
ATOM     13  N2  MOL     1       6.272   1.500  -0.716
ATOM     14  C7  MOL     1       5.574   0.272  -1.007
ATOM     15  C8  MOL     1       5.900  -0.877  -0.286
ATOM     16  H6  MOL     1       6.660  -0.825   0.489
ATOM     17  C9  MOL     1       5.261  -2.085  -0.563
ATOM     18  H7  MOL     1       5.524  -2.980  -0.003
ATOM     19  C10 MOL     1       4.289  -2.144  -1.561
ATOM     20  H8  MOL     1       3.786  -3.084  -1.776
ATOM     21  C11 MOL     1       3.964  -0.998  -2.286
ATOM     22  H9  MOL     1       3.205  -1.042  -3.065
ATOM     23  C12 MOL     1       4.615   0.205  -2.018
ATOM     24  H10 MOL     1       4.368   1.098  -2.587
TER
END
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