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Whar is different between <task name>.xtd and <taskname> Anneal.xtd after annealing in forcite mudule

Whar is different between <task name>.xtd and <taskname> Anneal.xtd after annealing in forcite mudule

I did annealing using the amorphous cell
below fugures are each of them after annealing

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and below figures is the angle distributions of <task name>.xtd and <taskname> Anneal.xtd
they look so different each other.
could you tell me what is difference btw two of them please??
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Jason DeJoannisJason DeJoannis
Hi Ming,
I think the main difference between your histograms is that one of them is smoother because it is based on a larger data set. Otherwise they have in common a peak at 40 and similar range.

The difference between the trajectories produced in the Anneal task is spelled out in the Help:

The standard trajectory is generated as <taskname>.xtd and is produced using the last step of each constant-temperature section of the anneal cycle.

The anneal trajectory is generated as <taskname> Anneal.xtd and is produced using the lowest energy structure from each complete annealing cycle. Optionally, the lowest energy structures can have geometry optimization applied before they are output to the trajectory. 

Given the above explanation, you should expect to see a lot more frames in <taskname>.xtd.

Best,
Jason