Ceilidh ... Re^2: Particle energy is less than sum of components energies

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Re^2: Particle energy is less than sum of components energies

Hi!
Dear Andrei, sorry for the incorrect formulation of my question. I mean that at some number of M+ cations I obtain (sometimes) the system which absolute value of energy is less, than the total energy of initial particles. That is, the final system is non-stable relatively initial particles.
As it seems to me, the ideal algorithm of local minimum search should not find such structures. However, as it finds them, I am compelled to compare energy of final system to energy of initial system in each doubtful calculation.
In this connection I wanted to ask, whether there are any FF options which allow reducing probability of similar systems finding?
Thanks!
Vyacheslav

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On Wed Apr 21 '10 10:18pm, Andrei V Scherbinin wrote
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>Hello Vyacheslav,

>Sorry to say, I didn't understand the problem rised in your question.

>Do you mean that adding counter-ions stabilizes your original charged complex?
>Or what did you mean when saying:

>>I receive systems which energy is less than sum of initial particles energies.
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Thu Apr 22 '10 4:27pm

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