A technique for calculating particle systems containing rigid and soft parts
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Publication:889701
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Cites work
- A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
- A modified shake algorithm for maintaining rigid bonds in molecular dynamics simulations of large molecules
- Dynamics of charged particulate systems. Modeling, theory and computation
- Dynamics of clusters of charged particulates in electromagnetic fields
- Fast parallel algorithms for short-range molecular dynamics
- P-SHAKE: a quadratically convergent SHAKE in \(O(n^2)\)
- RATTLE: A velocity version of the SHAKE algorithm for molecular dynamics calculations
- Symplectic numerical integrators in constrained Hamiltonian systems
- WIGGLE: a new constrained molecular dynamics algorithm in Cartesian coordinates
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