[gmx-developers] Read the component energy and force from the code during simulation

[Yi Isaac Yang]

Dear developers,

I am developing an enhanced sampling method, and I have already realized it
in AMBER. Now I want to add the code of this method into Gromacs. This
method need to read the component energy and force of different part of the
system (like protein, solution, etc.) during the simulation. However, I am
not very familiar withe the codes of Gromacs, so I don't know how to read
it. I know when I perform MD simulation using Gromacs I can set the groups
in "energygrps", then I can read the energy between those groups in .edr
file. So I think it shouldn't be too difficult to read the component energy
and force in the codes. Can you tell me how to read the component energy
and force from the codes?

Thank you very much and best regards,
Isaac
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