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Gaussian 98 software4/13/2023 ![]() You can use any molecular GUI available like GaussView (GV), Iqmol, Spartan or even Avogadro to construct your structure.Scp For more information on Gadi and useful basic commands on Linux: In Mac you can also use the Terminal (similar to Linux environment) to transfer files between your computer and NCI’s Gadi, see tips here. I use WinSCP and for Mac there is Filezilla or Cyberduck. The next step is to acquire a File Transfer Protocol (FTP) client for downloading and uploading files into or from Gadi.If you are using Mac you can remotely access using the terminal. MobaXterm is quite powerful as it can access GUI software like GaussView or VMD from Gadi using Xterm. ![]() ![]() MobaXterm is great on Windows and I think it should be installable for Mac. To first access Gadi, you need to install your preferred remote access tool.This guide will serve to help you do simple DFT calculations with the Gaussian software, a popular tool for quantum chemical calculations, in the NCI Gadi system.
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