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Ambiguous vector2scalar documentation #53

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bagheeera opened this issue Nov 10, 2023 · 0 comments
Open

Ambiguous vector2scalar documentation #53

bagheeera opened this issue Nov 10, 2023 · 0 comments

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@bagheeera
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bagheeera commented Nov 10, 2023

Hello,

the documentation of the vector2scalar option "norm" states that,

if it's positive, the vector force is oriented within -90 to 90 degrees with respect to the atoms/residues - considered to be same direction = attractive = negative
if it's negative, the vector force is oriented within 90 to 270 degrees with respect to the atoms/residues - considered to be in opposite direction = repulsive = positive

This is rather ambiguous! What exactly does "positive [...] = negative" and "negative [...] = positive" mean? Which is the correct sign? Should it maybe say "if the cosine is positive/negative, the vector force is ..." and "= attractive/repulsive = the assigned sign is negative/positive"?

Thank you!
Best,
Ferdinand

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