Hey, the -ter in pdb2gmx worked with some additional modifications in the *.top - file. I selected none for N- and C-terminus, so that no additional Hydrogens were added. Then i manually added the bond between C (PGL) and N (PHE) and the dihedral for this amide into the *.top - file.
Thanks a lot for your Help Christian. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
