The original virial-biased sampling of Mezei (1983, Molec. Phys., 37, 1779) that changes the simulation cell's volume isotropically has been generalized to anisotropical changes. Calculations on liquid water and the aqueous solution of the dimethylphosphate—sodium ion pair demonstrate the computational gains of the virial-biased techniques. The additional gain obtainable by the anisotropic biasing is also demonstrated.
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Jedlovszky et al. (1999) studied this question.
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