[gmx-users] Interaction energy between specific residue in a set of residues

Dear all, I am looking how I can extract the interaction energy between specific residue in a set of residues. example: I have DT and DA residues, I would like to plot only the energy of the DT. I can extract the DT with the index file, But I am missing information on how to plot the energy

Re: [gmx-users] Interaction energy between specific residue in a set of residues

On 7/31/13 4:20 PM, Collins Nganou wrote: Dear all, I am looking how I can extract the interaction energy between specific residue in a set of residues. Nonbonded energy terms are decomposed using energygrps in the .mdp file along with suitable index groups. example: I have DT and