Multiwfn forum

saber

Member

Registered: 2020-06-03

Posts: 15

IBSI & IBSIW

Hello Multiwfn users

How to print the results of IBSI calculation in a text file ?
who is better for studying weak interactions between tow fragments: IBSIW (IGMH high grid quality) or IBSI (IGM prom; medium grid quality)

Thanks in advance.

Last edited by saber (2021-08-31 15:53:20)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: IBSI & IBSIW

You can directly copy data from command-line window to a plain text file, please check Section 5.4 of Multiwfn on how to do that.

IBSIW based on IGMH may be better, though I didn't perform a rigorous comparative test.

saber

Member

Registered: 2020-06-03

Posts: 15

Re: IBSI & IBSIW

thanks Tian