Dear users, There is one thing i cannot clarify from gromacs manual which is about following error occurred while running grompp
Fatal error: Unknown bond_atomtype CAY I used to create .rtp file from atom types which are already defined in atomtype.atp file. But still above error occurring while running grompp. Not sure should i add again thes atoms to atp file and if so how to add them. Part of my rtp file is as below, I have modified the ffbonded.itp (only bond types added) successfully. [ bondedtypes ] ; bonds angles dihedrals impropers all_dihedrals nrexcl HH14 RemoveDih 1 1 3 1 ; MDI [ MD ] [ atoms ] CAY opls_135 0.000 1 CAX opls_135 0.048 2 CAW opls_135 0.047 2 CAV opls_135 0.144 2 OAU opls_154 -0.112 2 Your little help is much appreciate for this. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
