Round 9: Tossup 13

A form of this technique uses the WHAM method to analyze multiple rounds of umbrella sampling. This technique uses the AMBER package (15[1])to provide parameter sets for generating one construct. Using an algorithm named for Bussi, Donadio, and Parrinello avoids the “flying ice cube” (15[1])effect in this technique. Alder and Wainwright first used this technique to study elastic collisions between hard spheres. This technique uses the (*) isothermal-isobaric ensemble to resemble lab conditions. It’s not related to computer graphics, but Verlet integration is used for calculations in this technique, which shows larger macromolecules using coarse-grained force fields in a box. For 10 points, name this simulation technique in computational chemistry that numerically solves Newton’s equations of motion (-5[1])for a system of particles. ■END■ (0[1])

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