Dear All, When I work with pdb2gmx for force field 54a7, I meet the following
"WARNING: Residue 54 named ILE of a molecule in the input file was mapped to an entry in the topology database, but the atom O used in an interaction of type angle in that entry is not found in the input file. Perhaps your atom and/or residue naming needs to be fixed". Why you please let me know how to localize the topology database and how to localize ILE in the topology database , so that I can compare the atom O with that in my input pdb file, for fix of my pdb file? Brett -- 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 [email protected].
