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NIH: National Institute of Diabetes and Digestive and Kidney Diseases NIH: National Institute of Diabetes and Digestive and Kidney Diseases
bit Xplor-NIH VMD-XPLOR
Shape

Shape

The following quantities are printed for each shapePot.ShapPot term:

size - number of atoms in the atom selection

X/Y/Z - 3 eigenvalues of the shape tensor

X/Y/Z diff - the difference of the corresponding eigenvale between different
ensemble members.

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