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Umbrella sampling 35 ns - PowerPoint PPT Presentation

Mark E. Tuckerman Dept. of Chemistry and Courant Institute of Mathematical Sciences

Enhanced conformational sampling via very large time-step molecular dynamics, novel variable transformations and adiabatic dynamics. Mark E. Tuckerman Dept. of Chemistry and Courant Institute of Mathematical Sciences New York University, 100 Washington Sq. East New York, NY 10003.

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Umbrella sampling 35 ns - PowerPoint PPT Presentation

Mark E. Tuckerman Dept. of Chemistry and Courant Institute of Mathematical Sciences