Multiwfn forum

mixedcrown

Member

Registered: 2019-05-30

Posts: 7

How to Plot high quality AIM topology Map in VMD visualization program

Dear Tian,

I am trying to plot high quality AIM topology map in VMD visualization program as explained in section 4.2.5 of the latest Multiwfn manual. However, I keep on getting this error on the VMD console :

vmd > aim
ERROR) Could not read file CPs.pdb
Unable to load file 'CPs.pdb' using file type 'pdb'.
vmd >

From my little investigation I can see that even though the VMD.bat file runs, however it did not generate any mol.pdb, CPs.pdb and paths.pdb files as I could not find them in my VMD folder. Probably this is the source of the problem

Could you please direct me as to how to successfully render high quality AIM topology map using the VMD visualization software in conjunction with Multiwfn?

Thanks in advance for your help

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,830

Website

Re: How to Plot high quality AIM topology Map in VMD visualization program

Please make sure that you have properly set the actual VMD folder and path of input file in the VMD.bat, also you have moved the AIM.txt to current folder.

If you are really confused, I suggest you open console window (i.e. "cmd" of Windows), and the manually input the commands in the .bat file in console window, you must be able to make clear what is the source of the problem.