[gmx-users] Question on energygrps setting

Lei Qian tuk04130 at temple.edu
Thu May 7 00:32:06 CEST 2020


Dear users,

I know interaction energy calculation is carried out via energygrps setting
in mdp file.
Because free energy-related settings do not include this energygrps
setting, so I think this energygrps setting may NOT be related to free
energy settings.
Could I ask whether my idea is correct or not?

Thanks!
Lei


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