[gmx-users] What is 'rest' in g_energy

[Markus O Kaukonen]

Dear All,

I define in .mdp file:

>energygrps               = HER HEA r_239
>energy_grp_excl          = HER HER HEA HEA r_239 r_239

The after md one runs g_energy.

Question: What is the group 'rest' in the g_energy input?
Example:
HEA-rest :
A) Is it the interaction between HEA and rest of the protein ?
B) Is it interaction between HEA and (HER + r_239)?
C) Something else?

Terveisin, Markus



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