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GaussViewW on Windows

The version of GaussViewW licensed at Brown allows the user to do computer visualization of molecules and to set up the parameters for calculations. Our version on Windows is not capable of completing the calculations. The .gfj files must be transferred to a linux computer on which Gaussian has been installed. Members of the Chemistry Department should get an account on our cluster by email Margaret Doll.

To install GaussViewM on a Brown-owned Windows computer, contact Margaret Doll for the distribution cds. Installation instructions for Windows.

The user of GaussViewW or Gaussian agree to acknowledge the use of the software in any papers resulting from work with the software. View the Citation Requirements.

Running GaussViewW

I am assuming that you have installed GaussViewW in the Program Files directory according to the web instructions.

Go to the Start -> Programs -> Gaussian -> GaussView 4.1. Click on the program to start it.

A title screen will then appear, followed by a grey screen, a blue screen and a helpful hints screen.

Create your molecule in the grey screen. Transfer it to the blue screen by just dragging it over. Once the molecule is in the blue screen, you can set up the calculations that you want to do on the molecule.

Click on the Calculate tab on the grey screen and set up your calculations.

Save your requests by going to Edit on the Calculate screen. The Edit tab is on the bottom of the screen. The contents of the file you are about to save will appear. Edit the top line of this file, changing the Windows location of the file to the location where the file will be on ted, the linux computer.

For example, a file that I created had the top line:

c:\Documents and Settings\mdoll\Desktop\test.gfj

I would modify the line to read

/home/mdoll/test.gfj

Save your modified file by going to File -> Save within the Calculate window. A window requesting where you would like to save your file will appear. Choose a directory which your account owns.

Transfer your .gfj file to ted using putty sftp or another sftp program for Windows. A link to putty is available on the Brown software web page.

Next read: Directions for a user on the Chemistry cluster


Margaret Doll 6-24-2008