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#1 Re: Multiwfn and wavefunction analysis » Electron and Hole Distribution and Molecular Orbitals? » 2024-02-10 08:39:44

Thank you for the explanation and the suggestinos.  I'll definitely look into the resources you shared.

#2 Multiwfn and wavefunction analysis » ELF Bond critical point (BCP) » 2024-02-05 11:31:17

evetaylor
Replies: 1

hello everyone, I am trying to an ELF bond critical analysis to a .pdb file, I follow the steps mentioned in the multiwfn manual but I always get the following response:

"No path has been generated
No CP has been found"

more context: the input file is a ligand-protein interaction, and I want to visualize and analyze the weak interactions observed.

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