"Implementation of replica-exchange umbrella sampling in GAMESS."

Shingo Ito et al. (2018)

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DOI: 10.1016/J.CPC.2018.01.014

access: closed

type: Journal Article

metadata version: 2020-02-21

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Shingo Ito, Dmitri G. Fedorov, Yuko Okamoto, Stephan Irle:
Implementation of replica-exchange umbrella sampling in GAMESS. Comput. Phys. Commun. 228: 152-162 (2018)

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