Molecular dynamics of rigid bodies: Difference between revisions
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==See also== | ==See also== | ||
*[[Quaternions]] | *[[Quaternions]] | ||
*[[Constraints (molecular dynamics) | Constraints]] | |||
==References== | ==References== | ||
<references/> | <references/> | ||
;Related reading | ;Related reading | ||
*[http://dx.doi.org/10.1080/08927028808080946 John W. Perram and Henrik G. Petersen "New Rigid Body Equations of Motion for Molecular Dynamics", Molecular Simulation '''1''' pp. 239-247 (1988)] | |||
*[http://dx.doi.org/10.1063/1.474310 Andreas Dullweber, Benedict Leimkuhler and Robert McLachlan "Symplectic splitting methods for rigid body molecular dynamics", Journal of Chemical Physics '''107''' pp. 5840- (1997)] | *[http://dx.doi.org/10.1063/1.474310 Andreas Dullweber, Benedict Leimkuhler and Robert McLachlan "Symplectic splitting methods for rigid body molecular dynamics", Journal of Chemical Physics '''107''' pp. 5840- (1997)] | ||
*[http://dx.doi.org/10.1016/j.chemphys.2006.07.009 Natale Neto and Luca Bellucci "A new algorithm for rigid body molecular dynamics", Chemical Physics '''328''' pp. 259-268 (2006)] | |||
*[http://dx.doi.org/10.1063/1.4729284 Yasuhiro Kajima, Miyabi Hiyama, Shuji Ogata, Ryo Kobayashi, and Tomoyuki Tamura "Fast time-reversible algorithms for molecular dynamics of rigid-body systems", Journal of Chemical Physics '''136''' 234105 (2012)] | *[http://dx.doi.org/10.1063/1.4729284 Yasuhiro Kajima, Miyabi Hiyama, Shuji Ogata, Ryo Kobayashi, and Tomoyuki Tamura "Fast time-reversible algorithms for molecular dynamics of rigid-body systems", Journal of Chemical Physics '''136''' 234105 (2012)] | ||
*[http://dx.doi.org/10.1063/1.4756796 Peng Tao, Xiongwu Wu, and Bernard R. Brooks "Maintain rigid structures in Verlet based Cartesian molecular dynamics simulations", Journal of Chemical Physics '''137''' 134110 (2012)] | |||
*[http://dx.doi.org/10.1063/1.5003636 Ana J. Silveira1 and Charlles R. A. Abreu "Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water", Journal of Chemical Physics '''147''' 124104 (2017)] | |||
[[category: Molecular dynamics]] | [[category: Molecular dynamics]] | ||
[[category: classical mechanics]] | [[category: classical mechanics]] | ||
Latest revision as of 13:13, 2 October 2017
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Rigid bodies
See also[edit]
References[edit]
- Related reading
- John W. Perram and Henrik G. Petersen "New Rigid Body Equations of Motion for Molecular Dynamics", Molecular Simulation 1 pp. 239-247 (1988)
- Andreas Dullweber, Benedict Leimkuhler and Robert McLachlan "Symplectic splitting methods for rigid body molecular dynamics", Journal of Chemical Physics 107 pp. 5840- (1997)
- Natale Neto and Luca Bellucci "A new algorithm for rigid body molecular dynamics", Chemical Physics 328 pp. 259-268 (2006)
- Yasuhiro Kajima, Miyabi Hiyama, Shuji Ogata, Ryo Kobayashi, and Tomoyuki Tamura "Fast time-reversible algorithms for molecular dynamics of rigid-body systems", Journal of Chemical Physics 136 234105 (2012)
- Peng Tao, Xiongwu Wu, and Bernard R. Brooks "Maintain rigid structures in Verlet based Cartesian molecular dynamics simulations", Journal of Chemical Physics 137 134110 (2012)
- Ana J. Silveira1 and Charlles R. A. Abreu "Molecular dynamics with rigid bodies: Alternative formulation and assessment of its limitations when employed to simulate liquid water", Journal of Chemical Physics 147 124104 (2017)