Simultaneous Calculation of Pressure and Chemical Potential in Soft, Off-Lattice Models

Simultaneous Calculation of Pressure and Chemical Potential in Soft, Off-Lattice Models [Pg.238]

An advantage of a soft, coarse-grained, off-lattice model is the ability to simultaneously and accurately calculate the pressure, p, and the chemical potential, p. Abandoning the lattice-description allows a precise calculation of the pressure, p, and simulations at constant pressure or tension. This is also possible in off-lattice models with harsh excluded volume interactions (e.g., a Lennard-Jones bead-spring model). The accurate calculation of the chemical potential by particle insertion methods. [Pg.238]