> 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?
No, this is very much a one-off job that people do, and so nobody has developed a general program to do it - and it would be a difficult and thankless task to write one. Assuming phosphate-suitable parametets exist in the force field, you should look around the other residues for a phosphate group to copy the general approach from... sulfate might work analogously too... anyway I've no idea what phosphotyrosine looks like, so you're on your own really. If no phosphate parameters exist, then you have a more serious problem. Mark _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
