To Prof. Justin A. Lemkul &Gromacs Users Dear Gromacs users I am learning MD simulation of protein-ligand interaction using an important Gromacs software, applied to my compound; 3b-Acetoxy-6-nitro cholest-5-ene.When I implemented the commands given below. I faced the problem.I read many questions and answers related to my problem, but I could not find the appropriate answer.
$ gmx grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr ERROR 11 [file unk.prm, line 264]: Encountered a second block of parameters for dihedral type 9 for the same atoms, with either different parameters and/or the first block has multiple lines. This is not supported. ERROR 12 [file unk.prm, line 265]: Encountered a second block of parameters for dihedral type 9 for the same atoms, with either different parameters and/or the first block has multiple lines. This is not supported. Line 264 CG3C52 CG3C52 CG3RC1 CG311 9 0.000000 0.418400 3 Line 265 CG3C52 CG3C52 CG3RC1 CG311 9 0.000000 2.092000 4 . . ................................................................................................................... I need your kind help to overcome this problem, so I learn the simulation smoothly I look forward to your useful help with the above problem Please suggest me what I should do Regards M. Alam -- 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.
