[gmx-users] Interaction energies between atoms

[Mark Abraham]

Hi,

How would you define that interaction energy? What would you learn from its
value?

Mark

On Fri, 15 Feb 2019 at 02:26 Sam David <samdav800 at gmail.com> wrote:

> Hello GMX users,
> I'm simulation a mixture of polymers, water, and hydrocarbons. I want to
> calculate the interaction energies of an atom in one of the polymers with
> another atom in the system.
> Is there any way to do it in gromacs?
>
> Thank you
> Sam
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