Colleagues,
To return to a familiar subject: visualization of vibrations.
In Chime I used multipleXYZ files, written out by MOLDEN for a particular vibration and as calculated by Gaussian, MOPAC, etc.
In Jmol I can still animate these mXYZ file, however the animation doesn't run smoothly.
After one cycle it waits for a second before it restarts. So the animation doesn't look like a vibration.
So my first question is: can this delay be avoided?
I know that people are working on reading and displaying vibrations directly from Gaussian output.
Can I select -scriptwise- a particular one of the 3N-6 vibrations?
Will this feature be extended to MOPAC output?
Hens
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