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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

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E. Marklund

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Open access Sep 2026

FMM-AutoOpt: A Python Tool for Automated GROMACS FMM Parameter Optimization

FMM-AutoOpt is developed for the automated benchmarking of FMM parameters with GROMACS, a versatile and flexible tool facilitating rapid parameter screening to ensure optimal performance and high simulation accuracy.

Louise J. Persson, E. Marklund · 0 citations

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