[gmx-developers] Lennard Jones and Electrostatic energies.

[Berk Hess]

Hi,

We might need a wiki entry for this, since this is a question that keeps 
popping up, but it's unfortunately not easy to answer.

Berk

On 10/10/2014 02:37 PM, Mark Abraham wrote:
> Hi,
>
> 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.
>
> Mark
>
> On Fri, Oct 10, 2014 at 12:53 PM, IÑIGO SAENZ 
> <inigo.saenz01 at estudiant.upf.edu 
> <mailto: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.
>
>     --
>     Gromacs Developers mailing list
>
>     * Please search the archive at
>     http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List
>     before posting!
>
>     * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
>     * For (un)subscribe requests visit
>     https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers
>     or send a mail to gmx-developers-request at gromacs.org
>     <mailto:gmx-developers-request at gromacs.org>.
>
>
>
>

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20141010/d71b22fc/attachment.html>