On 6/2/14, 2:13 PM, Steve Seibold wrote:
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 erro
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?
V
Inviato da iPhone
> Il giorno 02/giu/2014, alle ore
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
--
Groma
