[gmx-users] energygrps

[Poojari, Chetan]

Hi,

I have completed membrane protein simulations. I want to do some free energy calculations  but haven't included energygrps in the mdp file.

Please can someone suggest me if theres a way to generate separate energygrps for my protein and lipid now as I carried out simulations without having energygrps in the mdp file.


cheers,
chetan.

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