| 摘要 |
<p>The Residual Form (48) of the equations of motion of a molecular model (50) is used to increase computational efficiency of a simulation by a factor of approximately seven as compared to conventional Direct Form approaches (not including force computations). Implicit integrators (68) are used with the Residual Form, especially L-stable integrators, such as implicit Euler and Radau5. A preferable molecular model is an Order(N), torsion angle, rigid multibody system (54, 66).</p> |
