hi tom, > 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?
copy the files you want to edit into your working directory. cheers, marc _______________________________________________ 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
