Hi All,
I have re-written the center-of-mass script found on the Wiki (which was
actually only calculating center-of-geometry). This script provides three
improvements to the previous script: 1) The real center-of-mass can be
calculated based on a table of atomic masses, 2) pseudoatoms are used to
represent the center-of-mass which, unlike CGO spheres, can be used to measure
distances, angles, dihedral etc, 3) The COM/COG calculator is written as an
independent function which can be called as "get_com".
Hope you find this useful.
Sean
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