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 to provide parameter sets for generating one construct. Using an algorithm named for Bussi, Donadio, and Parrinello avoids the “flying ice cube” effect in this technique. Alder and Wainwright first used this technique to study elastic collisions (15[1])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 for a system of particles. ■END■

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