The molecular dynamics feature allows the simulation of the Newtonian mechanics of a molecule. The molecule should be Geometry Optimized before starting the simulation. When the Molecular Dynamics option is selected from the popup menu a dialog box will appear.
This box will contain four fields. The "Number of steps :" is the number of iterations the simulation should continue for. A large number of steps will allow the simulation to cover a greater portion of the conformational space, however it it will also take longer to compute. The default number of steps is 10000.
The second field is the temperature. A higher