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

Jorge Fernandez de Cossio Diaz cossio at cim.sld.cu
Thu Aug 20 22:06:23 CEST 2015


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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