> >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 _______________________________________________ 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
