[gmx-users] Cutting simulatio box

[Tsjerk Wassenaar]

Hi Faezeh,

You could use gmx select to make groups for the two phases and then perform
a rerun with these new groups as energy_grps. That would give you the
within and between group energies.

Hope it helps,

Tsjerk

On Jul 18, 2016 12:49 PM, "Faezeh Pousaneh" <fpoosaneh at gmail.com> wrote:

Hi,

I have a Phase-separation in my simulation result. I need to find energy
between molecules at each phase. Can I cut the box into small boxes, each
having one phase, and then by extension the run (with similar setting as
original) obtain the energies at each phase?

Thank you!
Best regards
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