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#1 Re: Multiwfn and wavefunction analysis » Electron Density Difference Plot with Multiwfn » 2022-04-13 01:24:33

Hi Tian,
This explanation has been very helpful! Is there a way to export the electron density gain and electron density loss as Gaussian cube files so that they can be visualized and rendered in VMD? When I export the results of my electron density difference calculation as a cube file and visualize it in VMD, I get a single surface rather than the two-colored surfaces in the tutorials. For reference, I am using a no-GUI version on a remote supercomputer. I attached my full workflow for how I generate the cube files. Any help or advice would be greatly appreciated!

Sincerely,
David

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