A short note on the fast evaluation of dihedral angle potentials and their derivatives

DOI10.1016/j.jcp.2011.12.022zbMath1245.82002OpenAlexW1985204389MaRDI QIDQ419638

Pedro Gonnet

Publication date: 18 May 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://ora.ox.ac.uk/objects/uuid:3e6425dd-af43-45d1-af70-06eed950ea27

zbMATH Keywords

Chebyshev polynomialsmolecular dynamicsdihedral potentialtorsion potential

Mathematics Subject Classification ID

Uses Software

• NAMD
• Gromacs
• DESMOND

Cites Work

• Unnamed Item

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