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Boltzmann sampling

Torrie, G.M., Valleau, J.P. Monte Carlo free energy estimates using non-Boltzmann sampling application to the subcritical Lennard-Jones fluid. Chera. Phys. Lett. 28 (1974) 578-581. [Pg.29]

Figure 16. Radius of gyration versus time for MPC dynamics (solid line) that includes hydro-dynamic interactions and Boltzmann sampling of velocities (dashed line) without hydrodynamic interactions. System parameters Nb — 200 and T — 0.8. From Kikuchi, et al., 2002. Figure 16. Radius of gyration versus time for MPC dynamics (solid line) that includes hydro-dynamic interactions and Boltzmann sampling of velocities (dashed line) without hydrodynamic interactions. System parameters Nb — 200 and T — 0.8. From Kikuchi, et al., 2002.
Zhou, R. Berne, B.J., Smart walking A new method for Boltzmann sampling of protein conformations, J. Chem. Phys. 1997,107, 9185... [Pg.318]

The most obvious way of gathering information about the set of macrostates is to use canonical Boltzmann sampling to explore them one at a time, with a sampling distribution set to... [Pg.15]

G. M. Torrie and J. P. Valleau, Chem. Phys. Lett., 28, 578 (1974).Monte Carlo Free Energy Estimates Using Non-Boltzmann Sampling Application to the Sub-Critical Lennard-Jones Fluid. [Pg.290]

Estimates Using Non-Boltzmann Sampling Application to the Sub-critical Lennard-Jones Fluid. /... [Pg.136]

Fig. 11. Standard Gibbs energy profile (solid line) for an ion transfer across the sharp interface calculated through a non-Boltzmann sampling using a total of 1.6 ns molecular dynamics trajectories. The crosses denote half of the average ion-solvent electrostatic energy. (After [128]). Fig. 11. Standard Gibbs energy profile (solid line) for an ion transfer across the sharp interface calculated through a non-Boltzmann sampling using a total of 1.6 ns molecular dynamics trajectories. The crosses denote half of the average ion-solvent electrostatic energy. (After [128]).
Pressure and Volume, 96 2.1.7 Monte Carlo Simulations, 96 2.1.8Thermodynamic Cycle Integration, 99 2.1.9Non-Boltzmann Sampling, 100... [Pg.78]

See other pages where Boltzmann sampling is mentioned: [Pg.3]    [Pg.3]    [Pg.10]    [Pg.84]    [Pg.87]    [Pg.88]    [Pg.263]    [Pg.269]    [Pg.280]    [Pg.281]    [Pg.297]    [Pg.466]    [Pg.142]    [Pg.182]    [Pg.203]    [Pg.207]    [Pg.16]    [Pg.100]    [Pg.49]    [Pg.397]    [Pg.4]    [Pg.725]   
See also in sourсe #XX -- [ Pg.2 ]



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Boltzmann constant sampling

Boltzmann sampling technique, equilibrium

Canonical Boltzmann sampling

Non-Boltzmann sampling

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