[gmx-users] recognising phos group

[jayant james]

Hi !
I am attempting to simulate a protein that is phosphorylated below is a part
of the PDF file
HETATM  460  P   PO3 A 200      14.995   1.523   4.011  1.00  0.89
P
HETATM  461  O1  PO3 A 200      14.287   1.882   5.272  1.00  1.16
O
HETATM  462  O2  PO3 A 200      15.841   0.179   4.048  1.00  0.77
O
HETATM  463  O3  PO3 A 200      14.134   1.500   2.694  1.00  0.97
O
HETATM  464  P   PO3 A 201      13.207  -1.138  -1.342  1.00  1.31
P
HETATM  465  O1  PO3 A 201      12.997  -2.551  -0.914  1.00  1.43
O
HETATM  466  O2  PO3 A 201      11.918  -0.211  -1.324  1.00  1.47
O
HETATM  467  O3  PO3 A 201      13.927  -0.914  -2.727  1.00  1.41
O

but upon executing pdb2gmx of the PDB file I get an error
-----------------------------------------------------------------
Fatal error:
Residue 'PO3' not found in residue topology database
------------------------------------------------------------------

I do know that DNA can be simulated in GROMOS (option 0 of pdb2gmx). So I am
wondering how to overcome the above error.

Awaiting suggestions
Thanks
Jayant


-- 
Jayasundar Jayant James

www.chick.com/reading/tracts/0096/0096_01.asp)
Residence -24935864, cell-9841042164
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