Hi, It's hard to understand what you're doing, but take care to distinguish atom name, residue name, and moleculetype name, which can all be different depending on the GROMACS version and force field.
Mark On Wed, Jun 4, 2014 at 10:50 AM, elham tazikeh <elham.tazi...@gmail.com> wrote: > Dear Justin/ *Dhanachandra * > *thanks for your reply* > > *as you konw, i simulated Zinc cation on hGH protein* > *and received an error in energy minimization process in em.tpr > production(*grompp -f em.mdp -c sol_ions.gro -p topol.top -o em.tpr)*, as > below:* > > *No such moleculetype ZN* > > *in one hand, i checked my ions.itp file and saw there is no ZN ion in it, > but atp file in my choosed force field (opls) support ZN ion same CU ion > (about CU cation, i had not any problem)* > > *on the other hand, by genion command, i could replace ZN ions instead of > sol (water) molecules, easily* > > *i don,t know it,s related to my version pf gromacs 4.6.5 or not?* > > *Regards* > *elham tazikeh* > -- > 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. > -- 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.
