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Clarify improper definition in spec, including figure illustrating torsions #65

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jchodera opened this issue Apr 12, 2024 · 1 comment

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@jchodera
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The current definition of improper torsion of improper torsions appears to not be fully explicit in specifying exactly which torsions the improper functional form is applied to. A diagram would also help substantially, since the ordering of atoms is not obvious (e.g. atom index 2 is the central atom).

@pavankum
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pavankum commented May 7, 2024

Slightly off topic but I love @lilyminium 's table of impropers, https://github.com/lilyminium/improper_orders.

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