Multiwfn forum

JKaiser

Member

Registered: 2019-11-05

Posts: 1

Reading Molden2AIM

Hi, I'm trying to obtain the MEP from some wfx files obtained using the package of molden2aim to generate them, but just for some files the program shows me:

Input file path, for example E:\MADLAX\MADLAX.wfn
(Supported: .wfn/.wfx/.fch/.molden/.31/.chg/.pdb/.xyz/.mol/.cub/.grd, etc.)
Hint: Press ENTER button directly can select file in a GUI window. To reload the file last time used, simply input the letter "o". Input such as ?miku.fch can open the miku.fch in the same folder as the file last time used.

Please wait...
forrtl: severe (59): list-directed I/O syntax error, unit 10, file /route_file.wfx

I hope someone could help me. I'll really appreciate it.

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: Reading Molden2AIM

It seems that the files are problematic. Please compress the .wfx files and upload them, I will check the reason
If the files are large, you can send them to my E-mail (see first page of Multiwfn manual)