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

[Tom Lenaerts]

>
>I suspect that in order to have pdb2gmx find the modified files, Tom 
>needs to make a full copy of the gromacs/share/top directory in his own 
>filespace, set the environment variable GMXLIB to that path, and then to 
>edit as necessary.

Are there any examples online which I could use as a guide to add the residue?  I obtained an .itp file from the HIC-up server for PTR but that format seems to differ from the .rtp format. Are there for instance scriitps available to make this conversion?

Tom