Multiwfn forum

sourikanair

Member

Registered: 2020-05-27

Posts: 12

AIM topology map in VMD

Copied AIM.bat and AIM.txt from "examples\scripts" to the executable file. Edited ip in the AIM.bat, modified the default VMD folder to actual VMD folder. but couldn't run the batch file. showing error. couldnt generate pdb files

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,774

Website

Re: AIM topology map in VMD

Please make sure
1: You have very carefully followed this tutorial step by step:
Using Multiwfn with VMD to quickly and easily plot high quality atoms-in-molcules (AIM) topology map
https://youtu.be/mgsnhvWH5SI
2: You are using latest version of Multiwfn, namely Multiwfn 3.7(dev)
3: The path of input file and the VMD directory in the .bat file is indeed correct.
4: The input file can be normally loaded into Multiwfn to perform topology analysis.

If you are still unable to successfully run the script, please enter the cmd interface (i.e. console window) of Windows system, then go to the Multiwfn folder, then input "AIM.bat" command to run the script, and see which information will be shown on screen. If you find the script doesn't finished normally, please upload a screenshot of the cmd window.