MDVRY: a polarizable classical molecular dynamics package for biomolecules

DOI10.1016/J.CPC.2008.08.008zbMath1198.82058OpenAlexW2045435350MaRDI QIDQ603406

D. Borgis, Marie-Pierre Gaigeot, H. Loirat, Marc Souaille

Publication date: 6 November 2010

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cpc.2008.08.008

zbMATH Keywords

polarizationelectrostaticsmolecular dynamics\texttt{MDVRY}biomoleculesCar-Parrinello type of dynamicsinduced point dipolesthole

Mathematics Subject Classification ID

Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (2)

\(\mathrm{MDMC}^2\): a molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters ⋮ \(MCMC^{2}\) : a Monte Carlo code for multiply-charged clusters

Uses Software

• GROMOS

Cites Work

• Unnamed Item
• Fluctuating charge force fields: recent developments and applications from small molecules to macromolecular biological systems

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