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Thermodynamic Integration Using Constrained and Unconstrained Dynamics

  • Eric Darve
Chapter
Part of the Springer Series in CHEMICAL PHYSICS book series (CHEMICAL, volume 86)

Keywords

Molecular Dynamic Reaction Coordinate Constraint Force Free Energy Difference Free Energy Calculation 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag Berlin Heidelberg 2007

Authors and Affiliations

  • Eric Darve
    • 1
  1. 1.Mechanical Engineering DepartmentStanford UniversityStanford

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