[gmx-users] Water-Zinc interactions

Vito Genna Vito.Genna at iit.it
Mon Jun 2 20:46:18 CEST 2014

Hi Steve,

Your description is too general.

Which versions of Gromacs are you using?

Which FF?

The ions are in the bulk or your system is based on a Crystal Structure that contains structural Zinc?

The ions interact with the water only?


Inviato da iPhone

> Il giorno 02/giu/2014, alle ore 20:18, "Steve Seibold" <stevesei at ymail.com> ha scritto:
> I am doing a simulation of a protein with zinc ligands..When looking calculating the distance between the Zinc and the water, I am getting distances that go as low as 0.3-0.4 Angstroms. This seems too close to me..Is this close contact due to the errors in trajectories??
> Thanks, Steve
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