Quasi-Hamiltonian equations of motion for internal coordinate molecular dynamics of polymers

Journal of Computational Chemistry

Volumn 18, Issue 11, 1997, Pages 1354-1364

  Mazur, Alexey K ^a,b  

^a INST DE BIOLOGIE PHYSICO CHIMIQUE   (France)

^b PACIFIC INSTITUTE OF BIOORGANIC CHEMISTRY   (Russian Federation)

Author keywords

Constraint dynamics; Implicit leapfrog integrator; Internal coordinate molecular dynamics; Molecular dynamics in torsion angle space; Molecular dynamics of polymers

Indexed keywords

EID: 0001470510     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(199708)18:11<1354::AID-JCC3>3.0.CO;2-K     Document Type: Article

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