another question: I use constraint pull code... is there some problem in estimating interaction energy?
bye
Beniamino
2006/6/23, Mark Abraham <
[EMAIL PROTECTED]>:
Beniamino Sciacca wrote:
> Thanks very much!
> So using g_energy I choose
> LJ-SR:DNA1-DNA2
> LJ-SR:DNA2-DNA3
> LJ-SR:DNA1-DNA3
> Adding these three terms I obtain the total interaction energy between
> the DNA molecules, isn't it?
> There is a lot of difference between LJ-SR..... and Coulomb-SR.
> Which is the best method to estimate this interaction energy (LJ or
> Coulomb)?
First work out what you mean by interaction energy. Then understand what
LJ-SR and Coulomb-SR mean (and likewise any other LJ and Coulomb
terms). Then you can answer your own question.
Mark
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