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MDAnalysis / membrane-curvature

MDAnalysis tool to calculate membrane curvature.
https://membrane-curvature.readthedocs.io/
GNU General Public License v3.0
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Sign of mean curvature #70

Closed lilyminium closed 3 years ago

lilyminium commented 3 years ago

Related to #69: I think the sign of the mean curvature is reversed here compared convention.

Conventionally I think we use the upward-pointing Z-axis as the membrane normal. With that, you can use this definition of the mean curvature (as you do). But I think you've added an extra negative. Should that be there?

ojeda-e commented 3 years ago

Thanks, @lilyminium for pointing this out! I'll fix it ASAP! :)