<![CDATA[Multiwfn forum / NCI Isosurface question]]> - //www.umsyar.com/wfnbbs/viewtopic.php?id=1564 Sun, 08 Dec 2024 16:03:53 +0000 FluxBB <![CDATA[Re: NCI Isosurface question]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4754#p4754 I understand sir. In my case, i just got the "func1.cub" and "func2.cub files off multiwfn and opened them on vmd, using "source rdgfill.vmd". So i am using this color scheme of the script.
Thank you for your answer!

]]> Sun, 08 Dec 2024 16:03:53 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4754#p4754 <![CDATA[Re: NCI Isosurface question]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4750#p4750 This depends on the employed color scale. Usually there should be evident attractive vdW interaction, but may be marginally more repulsive than common attractive vdW interaction.

]]> Sat, 07 Dec 2024 01:10:19 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4750#p4750 <![CDATA[NCI Isosurface question]]> //www.umsyar.com/wfnbbs/viewtopic.php?pid=4746#p4746 When i get an NCI isosurface with vdw interactions, i sometimes get these yellow-brownish color in my nci. I am not sure if this indicates and attractive vdW interaction, or a repulsive interaction. Could you clarify this to me?

Here is the image:

https://imgur.com/a/Qyy0Hsq

I am sending a URL with the image because i am getting an error with the "Postimage" website.

]]> Fri, 06 Dec 2024 18:04:31 +0000 //www.umsyar.com/wfnbbs/viewtopic.php?pid=4746#p4746