A parallel molecular dynamics simulation scheme for a molecular system with bond constraints in NPT ensemble

Computer Physics Communications

Volumn 174, Issue 4, 2006, Pages 263-269

  Oh, Kwang Jin ^a   Klein, Michael L ^b  

^a Korea Institute of Science and Technology Information (KISTI)   (South Korea)

^b UNIVERSITY OF PENNSYLVANIA   (United States)

Author keywords

Bond constraints; Domain decomposition; NPT ensemble; Parallel molecular dynamics simulation

Indexed keywords

COMPUTER SIMULATION; CONSTRAINT THEORY; EQUATIONS OF MOTION; INTEGRATION; PROTEINS;

BOND CONSTRAINTS; DOMAIN DECOMPOSITION; NPT ENSEMBLE; PARALLEL MOLECULAR DYNAMICS SIMULATION;

MOLECULAR DYNAMICS;

EID: 31444434391     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2005.10.011     Document Type: Article

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