cna any one help to add charges on structures in avogadro
You can add formal charges to atoms using the Atom Property table.
But I think a better question is what you want to accomplish by adding charges to atoms?
Actually, the structure i want to optimize is an orgnaic salt.
It has positive charge on nitrogen atom… So i need this charge to be added becuse if charge is not added it is considered as neutral… This creates a problem for me to optimize the structure
Hello, please where can I find the “Atom Property Table” in Avogadro tabs ?
Ah, I see… Properties…atom properties. I would to show examples of charges systems, like [Al(OH)4]-
@Miroslav_Ilias Do you refer to a future example where the charge is not allocated specifically to one atom? So far, I assumed drawing a molecule in Avogadro, subsequently for example removing a hydrogen and using the input generators for MOPAC, Gaussian, etc. to explicitly assign a charge applied to the molecule as such (globally) would prepare their work well enough (i.e., they would recognize the submitted structure is a carbocation).