Estimating Free-Energy Surfaces and Their Convergence from Multiple, Independent Static and History-Dependent Biased Molecular-Dynamics Simulations with Mean Force Integration.

J Chem Theory Comput · 2024 · PMC11238544 · PMID 38913384

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hedged sentence

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closest p

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boldest claim

The sentences

a decreasing trendno p-value reported

While the error (blue line) shows a decreasing trend, there are occasional upward fluctuations corresponding to an increase in the explored space v (red line).

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