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WebMO Support Forum » Running WebMO Jobs » Other » Geometry Sequence « Previous Next »

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David Kim
Unregistered guest
Posted on Tuesday, June 05, 2007 - 3:55 pm:   

After I run a Gaussian Coordinate Scan, one of the results is "Geometry Sequence" and allows for an animation. Could anyone explain what this data shows and what the animation is showing? Thanks in advance for our help.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 12
Registered: 11-2006
Posted on Tuesday, June 05, 2007 - 4:49 pm:   

The 'Geometry Sequence' option animates a sequence of molecular structures obtained from the output file. The actual information content of this data varies, depending on the type of job that you ran.

For example, if you ran a coordinate scan, the animation will show the geometry at each step during the scan. In constrast, if you ran a geometry optimization, you would be able to animate the progress of the optimization at each iteration, etc.

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