Rigid Body Molecular Dynamics within the Domain Decomposition Framework of DL_POLY_4

2013 ◽  
pp. 429-435
Author(s):  
Ilian Todorov ◽  
Laurence Ellison ◽  
William Smith
Keyword(s):  
Molecular Dynamics ◽  
Rigid Body ◽  
Domain Decomposition

scholarly journals The structure of the complex of plastocyanin and cytochrome f, determined by paramagnetic NMR and restrained rigid-body molecular dynamics

Structure ◽  
1998 ◽  
Vol 6 (3) ◽  
pp. 323-335 ◽  
Author(s):  
Marcellus Ubbink ◽  
Mikael Ejdebäck ◽  
B Göran Karlsson ◽  
Derek S Bendall
Keyword(s):  
Molecular Dynamics ◽  
Rigid Body ◽  
Cytochrome F ◽  
Paramagnetic Nmr

Pressure in rigid body molecular dynamics

2020 ◽  
Vol 173 ◽  
pp. 109430 ◽  
Author(s):  
Jens Glaser ◽  
Xun Zha ◽  
Joshua A. Anderson ◽  
Sharon C. Glotzer ◽  
Alex Travesset
Keyword(s):  
Molecular Dynamics ◽  
Rigid Body

Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials

1997 ◽  
Vol 18 (4) ◽  
pp. 478-488 ◽  
Author(s):  
Mark R. Wilson ◽  
Michael P. Allen ◽  
Mark A. Warren ◽  
Alain Sauron ◽  
William Smith
Keyword(s):  
Molecular Dynamics ◽  
Domain Decomposition ◽  
Replicated Data

Symplectic splitting methods for rigid body molecular dynamics

1997 ◽  
Vol 107 (15) ◽  
pp. 5840-5851 ◽  
Author(s):  
Andreas Dullweber ◽  
Benedict Leimkuhler ◽  
Robert McLachlan
Keyword(s):  
Molecular Dynamics ◽  
Rigid Body ◽  
Splitting Methods
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