[gmx-developers] re: [gmx_developers] more about solvation free energy

[Michael Shirts]

> In mdrun do_nonbonded14 takes care of this.
> There a neighborlist of one atom pair is made
> and the proper LJ parameters and charges are set.

> I can implement the three extra pair type interactions
> that I mentioned before.
> Then you can already do a simulation by adding the pairs
> and exclusions by hand in the .top file.

Yes, I realize how the parameters are set.  But what is the functional
form treatment within this loop?  Infinite cutoff LJ and Coulomb
interactions between just these atoms? Does the 1,4 routine assume
things are fairly close together?

Thanks,
Michael