Algorithms to apply dihedral-angle constraints in molecular or stochastic dynamics simulations
Author:
Affiliation:
1. Laboratory of Physical Chemistry, Swiss Federal Institute of Technology, ETH Zurich, Zurich, Switzerland
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5124923
Reference35 articles.
1. Algorithms for macromolecular dynamics and constraint dynamics
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5. Increasing the Time Step and Efficiency of Molecular Dynamics Simulations: Optimal Solutions for Equilibrium Simulations or Structure Refinement of Large Biomolecules
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