Hi, You have to had LJ parameters in ffnonbonded.itp file in the subfolder relative to your force-field
Francesco Il giorno 16 aprile 2012 11:08, Kamalesh Roy <roy.kamales...@gmail.com> ha scritto: > CAn any one siggest me how can I run simulation a protein containing Fe > atom, > I have changed the iions.itpfile and included there Fe in residue type.dat > bu still it is returning an error. > > FE parameter not found. > > -- > 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/Support/Mailing_Lists/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/Support/Mailing_Lists > -- Cordiali saluti, Dr.Oteri Francesco
-- 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/Support/Mailing_Lists/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/Support/Mailing_Lists