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Sampled configurations with the system at the two saddle points. Panels A and B correspond to saddle point 1 (X=5) and 2 (X=7.2). The yellow spheres are the ions. Water molecules are in red and white and the phosphate heads are in purple and blue. Note the single bridging water molecule between the phosphate and the ion in panel A and the larger number of bridging water molecules in panel B.
