[gmx-users] CYS1 or CYS2 not CYSH

[Osmany Guirola Cruz]

>
>How about changing it to CYS2 ?
>
>If that fails too you will have o make a new residue in your favorite
>force field.
>
>  
>

I edit my pdb file and change CYS to CYS2 in the rtp files this residue 
exit(CYS1 CYS12)
both residues are deprotonated . but when i run pdb2gmx  the gro file 
says CYSH.......
my peptide is lineal C-XXXXXXX-C  and i want the CYS deprotonated.
ATOM      1  N   CYS2     1       0.000   1.335   0.000
ATOM      2  CA  CYS2     1      -0.683   1.818   1.183
ATOM      3  C   CYS2    1      -0.705   3.339   1.221
ATOM      4  O   CYS2     1      -0.184   3.993   0.319
ATOM      5  CB  CYS2     1       0.007   1.330   2.453
ATOM      6  SG  CYS2    1      -0.740   1.859   4.015

and the gro

    1CYSH     N    1   0.000   0.134   0.000
    1CYSH    H1    2   0.000   0.034  -0.000
    1CYSH    H2    3  -0.047   0.167  -0.082
    1CYSH    H3    4   0.094   0.167  -0.000
    1CYSH    CA    5  -0.068   0.182   0.118
    1CYSH    CB    6   0.001   0.133   0.245
    1CYSH    SG    7  -0.074   0.186   0.401
    1CYSH    HG    8  -0.021   0.149   0.478
    1CYSH     C    9  -0.070   0.334   0.122
    1CYSH     O   10  -0.018   0.399   0.032

WHY? What can i do?