Molecular dynamics of rigid bodies
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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)