[gmx-users] No such moleculetype ZN

elham tazikeh elham.tazikeh at gmail.com
Wed Jun 4 10:50:38 CEST 2014

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

*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?*

*elham tazikeh*

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