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<title>BALLView Demo 1</title>
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<blockquote>
<h3>Energy minimization</h3>
The <it>energy minimization</it> 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.
<br><br>
Now we can perform a <it>molecular dynamics simulation</it>.
When you press Next, the simulation will start. You can watch
the structural changes the molecule would undergo in time. <br>
We will perform 30 steps and the current
step number will be shown in the statusbar at the bottom of the main window.
<br><br>
Don't worry if the simulation takes a moment to start.
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