On Tue, Dec 21, 2004, Nhat-hang Duong wrote:
>
> RMS deviation from ideal bonds: xyz
> RMS deviation from ideal angles: abc
"Ideal" in this case means the equilibrium values of the bonds and angles,
(b0 and theta0) as taken from the parameter file.
....dac
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Received on Tue Dec 21 2004 - 19:53:01 PST
