[gmx-developers] Lennard Jones and Electrostatic energies.

Mark Abraham mark.j.abraham at gmail.com
Fri Oct 10 14:37:59 CEST 2014


The simple answer is "in most of them" :-) The non-bonded kernels where
they are computed come in lots of physics and hardware flavours, and then
there is a lot infrastructure that coordinates accumulating them properly.
We can point you in the right direction if we know what you're trying to
achieve, though.


On Fri, Oct 10, 2014 at 12:53 PM, IÑIGO SAENZ <
inigo.saenz01 at estudiant.upf.edu> wrote:

> Hi,
> Does anyone know in which .C file are the LJ and Coulomb short range
> interactions energies calculated, please?
> I'm getting crazy studying the gromacs' source code and I cannot find the
> right .C file where those calculations are made.
> Iñigo Sáenz
> Universitat Pompeu Fabra, Barcelona.
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