[gmx-users] add a group to an amino acid

[hengame fallah]

I read about .hdb file and then i editted my .hdb file:

...
BOC     9
1    1    H         N      -C        CA
2    6    HA      CA      N       CB
1    5    HB      CB     CA      CG1    CG2
1    1    HD1    CD1    CG1    CE1
1    1    HD2    CD2    CG1    CE2
1    1    HE1    CE1    CD1    CZ
1    1    HE2    CE2    CD2    CZ
2    6    HG     CG2    CB      C
CYS2    3
1    1    H       N    -C       CA
1    5    HA    CA    N       C    CB
2    6    HB    CB    SG    CA
...
PHE     8
1    1    H         N      -C       CA
1    5    HA      CA     N       C    CB
2    6    HB      CB     CG    CA
1    1    HD1    CD1    CG    CE1
1    1    HD2    CD2    CG    CE2
1    1    HE1    CE1    CD1    CZ
1    1    HE2    CE2    CD2    CZ
1    1    HZ      CZ      CE1    CE2
...

but i got this error:

...
There are 1 chains and 0 blocks of water and 3 residues with 63 atoms

  chain  #res #atoms
  1 ' '     3     63

All occupancy fields zero. This is probably not an X-Ray structure
Opening library file /usr/share/gromacs/top/ffoplsaa.atp
Atomtype 1
Reading residue database... (ffoplsaa)
Opening library file /usr/share/gromacs/top/ffoplsaa.rtp
Residue 57
Sorting it all out...
Opening library file /usr/share/gromacs/top/ffoplsaa.hdb

-------------------------------------------------------
Program pdb2gmx, VERSION 4.0.7
Source code file: ../../../../src/kernel/h_db.c, line: 87

Fatal error:
wrong format in input file ffoplsaa.hdb on line
CYS2    3
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