Multiwfn forum

Louischarlc0

Member

Registered: 2020-07-21

Posts: 65

colouring of atoms

Hi there

I'm trying to create a file that visualize the colouring of atoms according to their electronegativities using VMD. The multiwfn manual on page 818 says that you need to create a .pqr file and load it in vmd. I'm manage to create a pqr file nut when I load it in vmd then it does not recognize the command prompt. It says invalid command name "HETATM'. How can I fix this?

Thanks in advance

Regards
Louis-Charl

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: colouring of atoms

You should drag the file into "VMD main" or "VMD OpenGL" window to load the file, rather than drag it to VMD console.

Louischarlc0

Member

Registered: 2020-07-21

Posts: 65

Re: colouring of atoms

Thank you so much

Regards
Louis-Charl