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Electrostatic potential surfaces


Apologies in advance if this is a case of RTFM.

I have watched the nice instructions at https://www.youtube.com/watch?v=khr4mp7HiuQ. However, when I try perform the same task and create an electrostatic potential surface, Avogadro pops a window that says “Error Electrostatic potential surfaces are not yet supported.” I have tried both Windows and Ubuntu installs of Avogadro.

What am I doing wrong?

Thank you.


We changed this up. You can map an electrostatic potential on top of a Van Der Waals surface - which is usually what people want.

In the early beta versions, we allowed mapping the electrostatic potential itself. On some simple molecules, this was fine (e.g., the video). On moderately complex molecules, the surface is extremely complex and is almost impossible to generate an accurate surface.

A full tutorial is in the manual


Since this seems to be a common Google search, you can also find more here: