Targeted Mollified Impulse: A Multiscale Stochastic Integrator for Long Molecular Dynamics Simulations
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Publication:4656048
DOI10.1137/S1540345903423567zbMath1063.92023MaRDI QIDQ4656048
Publication date: 8 March 2005
Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)
multiple time steppingmollified impulse methodpropagator algorithmself-consistent dissipative leap-frogtargeted Langevin stabilizationVerlet-I/reversible REference System
Biochemistry, molecular biology (92C40) Numerical methods for initial value problems involving ordinary differential equations (65L05) Computational methods for problems pertaining to biology (92-08)
Related Items (2)
Shadow hybrid Monte Carlo: an efficient propagator in phase space of macromolecules ⋮ A fast mollified impulse method for biomolecular atomistic simulations
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