Hi !<br>I am attempting to simulate a protein that is phosphorylated below is a part of the PDF file <br>HETATM 460 P PO3 A 200 14.995 1.523 4.011 1.00 0.89 P<br>HETATM 461 O1 PO3 A 200 14.287 1.882 5.272 1.00 1.16 O<br>
HETATM 462 O2 PO3 A 200 15.841 0.179 4.048 1.00 0.77 O<br>HETATM 463 O3 PO3 A 200 14.134 1.500 2.694 1.00 0.97 O<br>HETATM 464 P PO3 A 201 13.207 -1.138 -1.342 1.00 1.31 P<br>
HETATM 465 O1 PO3 A 201 12.997 -2.551 -0.914 1.00 1.43 O<br>HETATM 466 O2 PO3 A 201 11.918 -0.211 -1.324 1.00 1.47 O<br>HETATM 467 O3 PO3 A 201 13.927 -0.914 -2.727 1.00 1.41 O<br>
<br>but upon executing pdb2gmx of the PDB file I get an error<br>-----------------------------------------------------------------<br>Fatal error:<br>Residue 'PO3' not found in residue topology database<br>------------------------------------------------------------------<br>
<br>I do know that DNA can be simulated in GROMOS (option 0 of pdb2gmx). So I am wondering how to overcome the above error.<br><br>Awaiting suggestions<br>Thanks<br>Jayant<br><br clear="all"><br>-- <br>Jayasundar Jayant James<br>
<br><a href="http://www.chick.com/reading/tracts/0096/0096_01.asp">www.chick.com/reading/tracts/0096/0096_01.asp</a>) <br>Residence -24935864, cell-9841042164