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

System Message: ERROR/3 (/home/schwitrs/bit.niddk.nih.gov/xplor-nih/doc/3.8/headerHelp/Shape.txt, line 8)

Unexpected indentation.

ensemble members.

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