Multiwfn forum

mixedcrown

Member

Registered: 2019-05-30

Posts: 7

Multiwfn with VMD to plot high quality aim topology map

Dear Prof. Tian,

  I am trying to follow the procedure you described in section 4.2.5 of the multiwfn manual to prepare high quality aim topology map. Everything seems to work well until I try to activate the vmd.rc script using the aim command in the vmd prompt as instructed. Instead of running, I get an error message that says "invalid command". See below

rayshade   http://www-graphics.stanford.edu/~cek/r … shade.html
povray     http://www.povray.org/
python     http://www.python.org/
plugins    http://www.ks.uiuc.edu/Research/vmd/plugins/
software   http://www.ks.uiuc.edu/Research/vmd/all … grams.html
tcl        http://www.tcl.tk/
tutorial   http://www.ks.uiuc.edu/Research/vmd/vmd … #tutorials
userguide  http://www.ks.uiuc.edu/Research/vmd/vmd … ug/ug.html

vmd > plugins
invalid command name "plugins"
vmd > help plugins
Opening http://www.ks.uiuc.edu/Research/vmd/plugins/ ...
vmd > help scripts
Opening http://www.ks.uiuc.edu/Research/vmd/script_library/ ...
vmd > help faq
Opening http://www.ks.uiuc.edu/Research/vmd/all … d_faq.html ...
vmd > aim
invalid command name "aim"
vmd > aim
invalid command name "aim"
vmd >

Could you please guide me on  what to do to resolve this challenge?

Thank you.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: Multiwfn with VMD to plot high quality aim topology map

This because the code defining "aim" command has not been properly added to the vmd.rc file, hence VMD is unable recognize this customized command.
What operating system are you currently using? If you are using Windows, please carefully follow this video tutorial: https://youtu.be/mgsnhvWH5SI. If you are using Linux version, note that the vmd.rc should be named as ".vmdrc" and put into home folder.

mixedcrown

Member

Registered: 2019-05-30

Posts: 7

Re: Multiwfn with VMD to plot high quality aim topology map

Thank you very much, there was an # key which was not supposed to be in the last line of the vmd.rc file that was causing the problem, when I removed it, the aim command is now working properly.