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Path Sampling and String Method

In the string method, ° which is based on the transition path theory [Pg.389]

The algorithm uses a variational principle that satisfies [Pg.390]

The string method is more sophisticated than MaxFlux and DPS, but, due to its inherent complexity, it has been used only for very simple systems such as alanine dipeptide. [Pg.390]


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Path sampling

Path sampling methods

Sample methods

Sampling methods

String method

Stringing

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