Modeling Electrolytes!

The Electrolyte builder is located under the Build menu. This feature enables the users to create different types of electrolytes for All-Atom (with water molecules) and Coarse-grained (without water molecules) Molecular Dynamics Simulations. These models can be confined inside the nanoscale channels by enabling the “create dummy wall in z direction” icon. There are three steps to build the electrolyte.

Create Dummy Walls!

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Add counterions!

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Add Water Molecules!

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Add Cations and Anions!

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Build the Confined Electrolyte!

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