[gmx-users] how to add a PTR residue into the gromacs simulations

Tom Lenaerts tlenaert at vub.ac.be
Sat Mar 10 22:47:44 CET 2007

Hi all,

the pdb2gmx is unable to convert a peptide bound to a protein because it does not recognise the PTR (phosphotyrosine) in the peptide.  Gromacs manual says that you can only resolved this
by changing the adding the residue to the rtp files.  The problem now is that I do not have writing privileges for these files on our University  cluster.  Is there any other (easy) way to resolve this?


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