Masking Resonance Artifacts in Force-Splitting Methods for Biomolecular Simulations by Extrapolative Langevin Dynamics

Journal of Computational Physics

Volumn 151, Issue 1, 1999, Pages 74-113

  Sandu, Adrian ^a   Schlick, Tamar ^a  

^a NEW YORK UNIVERSITY   (United States)

Author keywords

Force splitting; Molecular dynamics; Multiple timesteps; Numerical resonance; Symplecticness

Indexed keywords

BIOMOLECULES; EXTRAPOLATION; NUMERICAL METHODS; PROTEINS; SPECTRAL DENSITY; STOCHASTIC SYSTEMS;

BIOMOLECULAR DYNAMICS SIMULATION; BIOMOLECULAR SIMULATION; FORCE SPLITTING; LANGEVIN DYNAMICS; MULTIPLE TIMESTEP; NUMERICAL RESONANCES; SPLITTING METHOD; SPLITTINGS; SYMPLECTICNESS; TIME STEP;

MOLECULAR DYNAMICS;

EID: 0002403441     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcph.1999.6202     Document Type: Article

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