scientific article; zbMATH DE number 6154738

zbMath1264.82005MaRDI QIDQ4913881

Ajith Gunaratne, Zhi-jun Wu

Publication date: 17 April 2013

Full work available at URL: http://www.math.ualberta.ca/ijnam/Volume8.htm

Title: zbMATH Open Web Interface contents unavailable due to conflicting licenses.

zbMATH Keywords

penalty function methodVerlet algorithmLagrange multipliers methodconstrained molecular dynamicsshake algorithm

Mathematics Subject Classification ID

Applications of mathematical programming (90C90) Statistical mechanics of polymers (82D60)

Uses Software

• CHARMM

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