[gmx-users] What's the point of adding ions to neutralize the system?

Victor Rosas Garcia rosas.victor at gmail.com
Thu Aug 20 22:15:15 CEST 2015

You said it yourself: to neutralize the net charge of the system.


2015-08-20 14:58 GMT-05:00 Jorge Fernandez de Cossio Diaz <cossio at cim.sld.cu

> Since the ion added is usually very far away from the protein (or molecule
> of interest), I don't see how it can affect the results of the molecular
> dynamics simulation. So why is it so important to add ions to neutralize
> the net-charge of the system?
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