[gmx-users] Energy of part of system

[Mark Abraham]

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