[gmx-users] Interaction energies between atoms
mark.j.abraham at gmail.com
Fri Feb 15 10:36:34 CET 2019
How would you define that interaction energy? What would you learn from its
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
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