GaussView 3.0
GaussView 3.0 (GV) is a graphical interface to the suite of
programs available in Gaussian 03 and was developed by Gaussian, Inc.
The visualization tutorial link will walk you through visualization of structures, molecular orbitals, electrostatic potential surfaces, NMR
tensors, Difference Densities, and vibrations.
Running GaussView
cosmos - you will need to add the following lines to your .bashrc or .bash_profile file:
export g03root="/usr/local/g03"
. $g03root/g03/bsd/g03.login
hydra, agave and k2 - add the following lines to your .tcshrc file:
setenv g03root /usr/local/g03
source $g03root/g03/bsd/g03.login
chmsgi and any 64-bit SGI/IRIX machine that has chmsgi:/chem mounted - add the following lines to your .tcshrc file:
setenv g03root /chem/g03
source $g03root/g03/bsd/g03.login
Any 34-bit SGI/IRIX machine (ie. SGI O2) that has chmsgi:/chem mounted - add the following lines to your .tcshrc file:
setenv g03root /chem/g03_O2
source $g03root/g03/bsd/g03.login
To run GaussView type: gv at the shell prompt.
Running GaussView 2.0
Obtaining GaussView 3.0 for Windows and Gaussian 03 for Windows or MacOS X
To obtain GaussView 3.0 for Windows and Gaussian 03 for Windows or MacOS X please visit the gaussian
link.
Trouble-Shooting
error:
gv: Command not found.
The lines that you added to your .tcshrc are either incorrect or have not been activated yet. Check the lines in your .tcshrc
file and make sure it matches the commands given above. To activate the modified .tcshrc you may log out and log back in or simply type:
The source command will activate any changes made to your .tcshrc file.
If you are running on a remote machine and you receive the error:
Xlib: connection to "labmol4.chem.tamu.edu:0.0" refused by server
Xlib: Client is not authorized to connect to Server
Error: Can't open display:labmol4.chem.tamu.edu:0.0
(where labmol4 will be replaced by the local machine name)
You need to make sure that you use the -X flag when you ssh to the remote machine (
ssh -X username@remote_machine_name )
If you are accessing the remote machine from a Linux box, you will probably need to use both the -X and -Y flags when you ssh to the remote machine.
