Atomic effective charge model

If one calculates the sensitivity coefficients of different properties of an aqueous system with respect to the atomic partial charges of the water models, the sensitivity coefficients obtained from an effective charge model can be different from those of a polarizable model. This difference was found in calculations of the charge sensitivities of different properties of liquid water with two effective charge models (the SPC and the TIP3P models ) and a polarizable water model > (Table 1), although the differences were more pronounced for sensitivity coefficients of some types than for others. Therefore, in using sensitivity coefficients to help identify the determinants of bio(molecular) proper-... 

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