Substructured molecular dynamics using multibody dynamics algorithms

International Journal of Non-Linear Mechanics

Volumn 43, Issue 10, 2008, Pages 1040-1055

  Mukherjee, Rudranarayan M ^a   Crozier, Paul S ^b   Plimpton, Steven J ^b   Anderson, Kurt S ^a  

^a RENSSELAER POLYTECHNIC INSTITUTE   (United States)

^b SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Coarse grained molecular dynamics; Multibody dynamics algorithms; Open source software

Indexed keywords

HYDROCARBONS; MOLECULAR DYNAMICS; PARAFFINS; QUANTUM CHEMISTRY;

ALANINE DIPEPTIDE; ALKANE CHAINS; BULK WATERS; CARBOXYL TERMINALS; COARSE-GRAINED MOLECULAR DYNAMICS; CONFORMATIONAL ANALYSES; CONSERVATION OF ENERGIES; ERROR BOUNDS; FUTURE RESEARCHES; MOLECULAR SYSTEMS; MULTIBODY DYNAMICS; MULTIBODY DYNAMICS ALGORITHMS; MULTIBODY DYNAMICS METHODS; NANO-SECONDS; OPEN-SOURCE SOFTWARE; RESEARCH EFFORTS; SPEED-UP; TIMESTEP INTEGRATIONS;

DYNAMICS;

EID: 56949097193     PISSN: 00207462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijnonlinmec.2008.04.003     Document Type: Article

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