Conventional molecular dynamics simulations of macromolecules require long computational times because the most interesting motions are very slow compared to the fast oscillations of bond lengths and bond angles that limit the integration time step. Simulation of dynamics in the space of internal co
Optimization of Numerical Algorithms for Internal Coordinate Molecular Dynamics
β Scribed by Vladimir E. Dorofeyev; Alexey K. Mazur
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 463 KB
- Volume
- 107
- Category
- Article
- ISSN
- 0021-9991
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