Dear all,

I want to solvate then minimize (few steps) a structure with a zinc (Zn2+) ion.

From what I saw in the manual, zinc parameters are available in the actual version of the amber force field in chimera. However, I am stuck with troubles. When I solvate I have the following message:

Could not determine charges for pre-existing solvent from added solvent for: Zn Zn

What do I do wrong?

All the best,

JD

***************************************************

Dr. Jean-Didier Maréchal

Lecturer

Computational Biotechnological Chemistry @ Transmet

Unitat de Química Física

Departament de Química

Universitat Autònoma de Barcelona

Edifici C.n.

08193 Cerdanyola (Barcelona)

Tel: +34.935814936

e-mail: JeanDidier.Marechal@uab.es