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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