[Chimera-users] Minimize and solvate with a zinc ion

[Dr. Jean-Didier Maréchal]

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 at uab.es

 

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