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Example: Print Bond Length and Bond Angle Deviations

    The following example shows how to print all covalent bond lengths and angles that deviate respectively by more than 0.1 Å and 10.0 from the equilibrium values. It also provides information about the rms deviation of the selected bonds and angles.

print threshold=0.1 bonds    
print threshold=10.0 angles

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Sat Mar 11 09:37:37 PST 1995