Coarse-grained procedures force matching

The reduction in the number of degrees of freedom can lead to an incorrect pressure in the simulation of the coarse-grained systems in NVT ensembles or to an incorrect density in NPT ensembles [24], The pressure depends linearly on the pair-forces in the system, hence the effect of the reduced number of degrees of freedom can be accounted for during the force matching procedure [24], If T is the temperature, V the volume, N the number of degrees of freedom of the system, and kb the Boltzmann constant then the pressure P of a system is given by... 

So far, CG approaches offer the most viable route to the molecular modeling of self-organization phenomena in hydrated ionomer membranes. Admittedly, the coarse-grained treatment implies simplifications in structural representation and in interactions, which can be systematically improved with advanced force-matching procedures however, it allows simulating systems with sufficient size and sufficient statishcal sampling. Structural correlations, thermodynamic properties, and transport parameters can be studied. 

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