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Classes related to Monte Carlo simulations
Copyright Schrodinger, LLC. All rights reserved.
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| ClashChecker A builder used just for checking for clashes during Monte Carlo simulations | |||
| MonteCarloMolecule Class for treatment of a moving molecule during a Monte Carlo iteration | |||
| Metropolizer A class that runs a Monte Carlo simulation using the Metropolis algorithm | |||
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| K_KCAL_PER_MOL = 0.00198720414567 | |||
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