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The adaptive buffered force QM/MM method in the CP2K and AMBER software packages

Letif Mones, Andrew Jones, Andreas W. Götz, Teodoro Laino, Ross C. Walker, Ben Leimkuhler, Gábor Csányi, Noam Bernstein. The adaptive buffered force QM/MM method in the CP2K and AMBER software packages. Journal of Computational Chemistry, 36(9):633-648, 2015. [doi]

Authors

Letif Mones

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Andrew Jones

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Andreas W. Götz

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Teodoro Laino

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Ross C. Walker

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Ben Leimkuhler

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Gábor Csányi

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Noam Bernstein

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