References
- Mezei , M. and Beveridge , D. L. 1986 . “Free Energy Simulations,” . Ann. Acad. Sci. N.Y. , 482 : 1
- Pohorille , A. and Pratt , L. R. 1986 . “Theoretical methods for obtaining free energies of biomolecular equilibria in aqueous solution,” . Methods in Enzymology, Biomembranes , 127
- Frenkel , D. 1986 . “Free energy computation and first-order phase transitions,” . In Molecular Dynamics Simulation of Statistical Mechanical Systems, XCVII , Bologna , , Italy : Soc. Italiana di Fisica .
- Cross , A. J. 1986 . “Influence of hamiltonian parametrization on convergence of Kirkwood free energy calculations, . Chem. Phys. Letters , 128 : 198
- Hansen , J. P. and Verlet , L. 1969 . “Phase transition of the Lennard-Jones system,” . Phys. Rev. , 184 : 151
- Torrie , G. M. and Valleau , J. P. 1977 . “Nonphysical sampling distributions in Monto Carlo free energy estimation: umbrella sampling.” . J. Comp. Phys. , 23 : 187
- Mezei , M. 1987 . “Grand canonical ensemble study of dense liquid Lennard-Jones, soft spheres and water,” . Mol. Phys. , 61 : 565
- Mruzik , M. R. , Farid , F. F. , Abraham , F. , Screiber , D. E. and Pound , G. M. 1976 . “Monte Carlo study of ion-water clusters,” . J. Chem. Phys. , 64 : 481
- Kirkwood , J. G. 1968 . “Theory of Liquids” , Edited by: Alder , B. J. New York : Gordon and Breach .
- Mezei , M. 1982 . “Excess free energy of different water models computed by Monte Carlo methods,” . Mol. Phys. , 47 : 1307
- Swope , W. C. , Andersen , H. C. , Berens , P. H. and Wilson , K. R. 1982 . “A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: application to small water clusters,” . J. Chem. Phys. , 76 : 637
- Wilson , K. R. private communication
- Metropolis , N. A. , Rosenblut , A. W. , Rosenbluth , M. N. , Teller , A. H. and Teller , E. 1953 . “Equation of state calculation by fast computing machines,” . J. Chem. Phys. , 21 : 1087
- Bennet , C. H. 1976 . “Efficient estimation of free energy differences from Monte Carlo data.” . J. Comp. Phys. , 22 : 245
- Mezei , M. , Mehrotra , P. K. and Beveridge , D. L. 1985 . “Monte Carlo determination of the free energy and internal energy of hydration for the Ala Dipeptide,” . J. Am. Chem. Soc. , 107 : 2239
- Jacucci and Quirke , N. 1980 . “Monte Carlo calculation of the free energy difference between hard and soft core diatomic liquids,” . Mol. Phys. , 40 : 1005
- Widom , B. 1963 . “Some topics in the theory of fluids,” . J. Chem. Phys. , 39 : 2808
- Powles , J. G. , Evans , W. A. and Quirke , N. 1982 . “Non-Destructive molecular dynamics simulation of the chemical potential of a fluid,” . Mol. Phys. , 46 : 1347
- Rao , M. , Pangali , C. and Berne , B. J. 1979 . “On the force-bias Monte Carlo simulation of water: methodology, optimization and comparison with molecular dynamics,” . Mol. Phys. , 37 : 1773