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Re: QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 13:23:49 +0000

Thanks. I got it. I watched the Youtube Video, and did as you explained. everything is OK.

Re: QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 12:27:47 +0000

there are some script files (batch files if I am correct) in the YOUTUBE video. How can we get them?

Re: QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 12:19:32 +0000

OK, I will test it. Thanks.

Re: QTAIM topological graphs for SSH connection

dummy@example.com (sobereva) — Tue, 28 Jan 2025 12:09:02 +0000

I strongly suggest using VMD to visualize the exported CPs. And I strongly suggest using the method described in the following video tutorial to plot the map:

Using Multiwfn with VMD to quickly and easily plot high quality atoms-in-molcules (AIM) topology map
https://youtu.be/mgsnhvWH5SI

Re: QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 10:07:25 +0000

It seems that only carbon atoms should be bounded. But how? GaussView automatically shows all the bonds.

Re: QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 10:05:53 +0000

this is for the time that I uncheck the bonds:

Re: QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 10:03:24 +0000

Re: QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 09:58:18 +0000

Hi again
I used -4 option to save CP.pdb, but when I open it by gauss view, I see the following image:

QTAIM topological graphs for SSH connection

dummy@example.com (rezabma) — Tue, 28 Jan 2025 09:19:23 +0000

Hi
I need topological graphs for BCP, RCP, and CCP from Bader theory (QTAIM). I know how can I save a text file for all CP properties. My connection is SSH, and I have only terminal of a Linux. How can I save the topological graph by a ssh connection?

Thanks
Reza