Multiwfn forum

shenaya

Member

Registered: 2019-10-16

Posts: 34

How to visualize just the bond critical point and bond path

Dear All,

I want to generate electron density and Laplacian of electron density maps just with bond critical points and bond paths. Withaout and ring or cage critical points.

I'm doing below steps.

Load the file.
2 topological analysis
2 Search CPs from nuclear positions
3 Search CPS from midpoints of atom pairs
8 generating the paths connecting (3,-3) and (3,-1)
then plot Laplacian of electron density or electron density

But I want to remove ring critical points
Can you please advise me on this

Thanks
Gayani

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: How to visualize just the bond critical point and bond path

In the post-processing menu, choose "4 Set details of plotting critical points and paths", then choose "3 Disable showing (3,+1) CPs". After that, return and replot the map.