Multiwfn forum

Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn

You are not logged in.

#1Re: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.

#2Multiwfn 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!

#3Multiwfn 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.

Board footer

Powered byFluxBB

Baidu
map