Has anybody solved this one? Gaussian computes an IRC by starting at the transition state (frame 1) and following the IRC down to a rest in one direction (lets say frame 25), then starting again from the geometry of frame 1 (this will now be numbered 26) and computing the IRC in the other direction, down to say frame 51.
So to display a smooth IRC (one capable of palindromic reversal), one needs to load the frames in the order: 51 > 27 > 1 > 25 (this avoids repeating 26, which is the same as 1). Unless I missed it, I do not think the frame command can be used to set up this sequence? Can anyone enlighten me? I would point out that it is not unusual to compute IRCs with a total of perhaps 400 frames, and loading and animating these frames is going to be a tough ask of JSmol (and possibly Jmol as well). Perhaps one should not try IRCs with so many frames at all?
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