| Description |
x, 325 pages : illustrations ; 26 cm |
| Contents |
1. Preliminaries -- 2. The coordinate file -- 3. Operations on coordinates -- 4. The energy function -- 5. Setting up the molecular mechanics system -- 6. Finding stationary points and reaction paths on potential energy surfaces -- 7. Normal mode analysis -- 8. Molecular dynamics simulations I -- 9. More on non-bonding interactions -- 10. Molecular dynamics simulations II -- 11. Monte Carlo simulations -- 12. Miscellaneous topics -- App. The Dynamo module library |
| Notes |
"June 3, 1998." |
| Bibliography |
Includes bibliographical references (pages 294-313) and indexes |
| Subject |
Molecules -- Models -- Computer simulation.
|
| LC no. |
98037540 |
| ISBN |
052158129X (hardbound) |
|
