[gmx-users] GROMACS Energy groups

[Adip Jhaveri]

Hello all,
I am simulating a system of two proteins in solution. For the simulation I
has specified (in the .mdp file) energygrps as : Protein W_ION.

Now in the output energy file, these energy groups are separated only for
the Columbic and LJ interactions: For e.g. (Columbic : Protein-Protein),
(Columbic Protein - W_ION). Is it possible to get a similar
decomposition for the bonded energy terms? (Like Bond: Protein, G96Angle:
Protein)

Also, is it possible during post-processing to get energies for a different
group like for each individual protein (e.g Protein_A) or would I have to
run the simulation again with different energy groups?

Thank you,
Adip