LFM trades mode coverage vs energetic fidelity via step size, near Amber14 parity
Niklas_TR · x · 2026-10-17
On nine unseen peptides, LFMs quickly cover metastable states at larger step sizes (4-8 fs) and approach Amber14 BAOAB performance at small steps, giving a knob to trade mode coverage for energetic fidelity.
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