Dear Chimera Dev. Team,<br><br>I&#39;m trying to add energy calculations in my script. To do so, I started with the class Minimize, defining nsteps as 0 but I think that it is not so tidy. In chimera/share/MMMD/MMTKinter.py I found the function minimize and a line that says:  <span style="font-family: courier new,monospace;">msg = &quot;Initial energy: %f&quot; % self.universe.energy()</span> .<br>
<br>My question is... How can I invoke this <span style="font-family: courier new,monospace;">self.universe.energy()</span> in order to get the energy? I tried to write a new class in MMMD/base.py and a new function in MMMD/MMTKinter.py in order to obtain a function like &quot;MMMD.base.energy()&quot; to write in my script but I think that I am doing it more complex that it is...<br>
<br>Anyone has any idea for doing it successfully? <br><br>Thanks,<br><br><br>Elisabeth Ortega-Carrasco<br>Ph.D. Student @ Universitat Autònoma de Barcelona.<br>