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

DOI10.1016/J.JCP.2011.12.022MaRDI QIDQ419638zbMATH OpenOpenAlexFDO

Authors 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

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Describes a project that uses

Uses Software

• DESMOND
• Gromacs
• NAMD

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