[gmx-users] Water-Zinc interactions

Steve Seibold stevesei at ymail.com
Mon Jun 2 20:13:24 CEST 2014

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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