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Hello,
I was going to use Multiwfn to analyze electron densities from the .dat file from a GAMESS MP2 single point calculation. Is it possible/appropriate to compare electron densities using different-sized grids, or is there any way to make them comparable?
My main goal here is to obtain electron densities around the active site of a protein with different point mutations.
Feel free to let me know if you need further clarification.
Thank you.
Pages: 1