Hello, I'm trying to use the amber03 ff to simulate a protein with iron clusters. I got the right parameters from a paper but then grompp tells me: "ERROR 1 [file clusters_ffbonded.itp, line 53]: Not enough parameters
ERROR 2 [file clusters_ffbonded.itp, line 54]: Not enough parameters ERROR 3 [file clusters_ffbonded.itp, line 55]: Not enough parameters ERROR 4 [file clusters_ffbonded.itp, line 56]: Not enough parameters ERROR 5 [file clusters_ffbonded.itp, line 57]: Not enough parameters" The thing is, line 53 to 57 from this file is the dihedrals for one of the clusters: "SEHS FEHS SH CT 9 0.0 8,5772 3 FEHS SEHS FEHS SH 9 180.0 16,15024 5 SEHS FEHS NA CR 9 180.0 5,69024 3 SEHS FEHS NA CC 9 0.0 5,69024 3 FEHS SEHS FEHS NA 9 180.0 4,26768 5" I don't understand where there are missing parameters. Indeed, a classical line from the dihedrals of ffbonded.itp has the same number of parameters, for example: " C N CT C 9 180.0 1.44390 2 ; Amber03" Did any of you run into this before ? Best regards, Marlon Sidore PhD Student Laboratoire d'Ingénierie des Systèmes Macromoléculaire (LISM) CNRS - UMR7255 31, Chemin Joseph Aiguier 13402 cedex 20 Marseille France -- 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.
