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Molekel - Message forums

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Viewing vibrational modes from GAMESS output
Submitted by Corey James Fugate; posted on Wednesday, July 02, 2008
I've been trying to get Molekel 5.3 (on my Macbook 10.5) to animate the vibrational modes of a small molecule from a GAMESS output file. It won't open log files or out files, so I simply renamed the file with the .gam or the .gamout extension. Both will open, however I can only see the first few vibrational modes (which are worthless). Any help I could get would be great.



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Viewing vibrational modes from GAMESS output
Submitted by Corey James Fugate; posted on Wednesday, July 02, 2008
I've been trying to get Molekel 5.3 (on my Macbook 10.5) to animate the vibrational modes of a small molecule from a GAMESS output file. It won't open log files or out files, so I simply renamed the file with the .gam or the .gamout extension. Both will open, however I can only see the first few vibrational modes (which are worthless). Any help I could get would be great.

 

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