I. Create a formatted checkpoint file from Gaussian98 for desired molecule (e.g., a.fchk).

II. Run "calc_freq" on filename.fchk

• Calc_freq converts the checkpoint file to a format that is readable by AVS5 (e.g., fort.11)
• Provides a list of normal modes and their corresponding frequencies that can be animated in AVS5.
• Allows for modification of the amplitude of the displayed vibrations.

III. Start AVS5 and enter Network Editor.

• Go to Lee Bartolotti's webpage and follow the links to AVS5 tutorial for more detailed information on running AVS5 (Please see Dr. Franzen for necessary passwords).

IV. Read in animation Network from /usr/people/franzen/networks and read in create_mpeg module from /usr/people/franzen/modules.

V. The animation Netwrok is comprised of the following modules:

• animated integer: Specifies the number of steps in the animation, the number of files to be converted into animations, and the number of times the animation is to be played.
• animate filename: Selects the filename to be animated.
• coord2geom: Reads files that contain structural inforamtion such as radius dimensions, model type, scale, and whether or not to display hydrogen atoms. Make sure to select a fort.xx file and to select dmol_xyz as the file type.
• tube: Allows for the bonds in a molecule to be displayed with a particular radius.
• geometry viewer: Allows for the selected module to be viewed.

VI. After the module is displayed and the vibrations are animated, the MPEG files can now be generated.

• Select "One Time" for the number of times the animation is to be displayed.
• Specify a directory and filename (filename.mpg) for the mpeg file to be generated in.
• Make sure that the "Pause" button is NOT highlighted in the mpeg module.
• Play the animation and make sure that the geometry viewer is not covered up with other Unix windows or the mpeg that is generated will be junk.
• Now go back to the mpeg module and highlight "Make It". Your mpeg file is now being generated (this may take a few minutes).

VII. To view the mpeg file, type mpeg_play filename.mpg.

• If temp files are present in your directory, the mpeg file was not created.View file_message to see why the mpeg was not created. Repeat step VI to create mpeg.