Harmonic Potentials

Ali RNAlo... at gmail.com
Wed Dec 19 02:11:59 CET 2007


Dear CP2K Users,

I am currently running and AIMD simulation (no MM system - just QM)
using a certain basis set and potential.  Is there an easy way to add
in a harmonic potential between specific atoms in my system? Do I have
to define a "molecule" first? This is not a QM/MM system, so I was
wondering if there was a convenient way to do this?

Ali


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