Re: [gmx-users] Questions about energy groups!

Zhong Zheng wrote: Dear all I have successfully run though the energy minimization on my target protein. I am trying to extract the backbone-backbone interactions from the energy output files. My understanding is that I need to define the energy groups in the grompp.mdp. This is what I edit

[gmx-users] Questions about energy groups!

Dear all I have successfully run though the energy minimization on my target protein. I am trying to extract the backbone-backbone interactions from the energy output files. My understanding is that I need to define the energy groups in the grompp.mdp. This is what I edited: energygrps