Ok.... <br>another question: I use constraint pull code... is there some problem in estimating interaction energy?<br>bye<br>Beniamino<br><br><div><span class="gmail_quote">2006/6/23, Mark Abraham <<a href="mailto:Mark.Abraham@anu.edu.au">
Mark.Abraham@anu.edu.au</a>>:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">Beniamino Sciacca wrote:<br>> Thanks very much!<br>
> So using g_energy I choose<br>> LJ-SR:DNA1-DNA2<br>> LJ-SR:DNA2-DNA3<br>> LJ-SR:DNA1-DNA3<br>> Adding these three terms I obtain the total interaction energy between<br>> the DNA molecules, isn't it?<br>
> There is a lot of difference between LJ-SR..... and Coulomb-SR.<br>> Which is the best method to estimate this interaction energy (LJ or<br>> Coulomb)?<br><br>First work out what you mean by interaction energy. Then understand what
<br> LJ-SR and Coulomb-SR mean (and likewise any other LJ and Coulomb<br>terms). Then you can answer your own question.<br><br>Mark<br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">
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