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Implementation of replica-exchange umbrella sampling in GAMESS

Shingo Ito, Dmitri G. Fedorov, Yuko Okamoto, Stephan Irle. Implementation of replica-exchange umbrella sampling in GAMESS. Computer Physics Communications, 228:152-162, 2018. [doi]

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Shingo Ito

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Dmitri G. Fedorov

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Yuko Okamoto

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Stephan Irle

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