Energy minimization

The energy minimization ensured a relaxation of the hydrogen atoms. This can be important since PDB files in general lack the hydrogen atoms and they have to be added using heuristics.

Now we can perform a molecular dynamics simulation. When you press Next, the simulation will start. You can watch the structural changes the molecule would undergo in time.
We will perform 30 steps and the current step number will be shown in the statusbar at the bottom of the main window.

Don't worry if the simulation takes a moment to start.