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#1 Re: Multiwfn and wavefunction analysis » Incorporate 1.2*CM5 charges from ORCA 5.0.4 into MOL2 file in Linux? » 2024-08-12 13:01:19

Thank you for the suggestion! As my text editor, I had been using Xed, which does not have "column mode". Now I have switched to Geany, which does have column mode. It works very well! Thank you again.

#2 Multiwfn and wavefunction analysis » Incorporate 1.2*CM5 charges from ORCA 5.0.4 into MOL2 file in Linux? » 2024-08-09 17:06:04

Hypersphere
Replies: 2

Could someone please describe a facile method for incorporating 1.2*CM5 partial atomic charges generated from ORCA/Multiwfn into a MOL2 file? This would preferably be in Linux and using ORCA 5.0.4. Thank you!

#3 Multiwfn and wavefunction analysis » Installing Multiwfn on Linux Mint 20.1 Xfce » 2021-02-22 16:55:37

Hypersphere
Replies: 3

This might be helpful to those installing Multiwfn on Linux Mint or other Linux distros based on Ubuntu.

I found that setting "ulimit -s unlimited" in my .bashrc file caused problems with my wine installation. However, changing this to "ulimit -Sn unlimited" seems to have solved the wine issues, but I do not yet know if this change will create any problem with Multiwfn, as I have just begun to use it.

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