Multiwfn forum / colouring of atoms

Re: colouring of atoms

dummy@example.com (Louischarlc0) — Sat, 12 Sep 2020 10:40:49 +0000

Thank you so much

Regards
Louis-Charl

Re: colouring of atoms

dummy@example.com (sobereva) — Fri, 11 Sep 2020 22:17:59 +0000

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

colouring of atoms

dummy@example.com (Louischarlc0) — Fri, 11 Sep 2020 20:11:19 +0000

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