From A to B in free energy space.

  title={From A to B in free energy space.},
  author={Davide Branduardi and Francesco Luigi Gervasio and Michele Parrinello},
  journal={The Journal of chemical physics},
  volume={126 5},
The authors present a new method for searching low free energy paths in complex molecular systems at finite temperature. They introduce two variables that are able to describe the position of a point in configurational space relative to a preassigned path. With the help of these two variables the authors combine features of approaches such as metadynamics or umbrella sampling with those of path based methods. This allows global searches in the space of paths to be performed and a new… CONTINUE READING

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