Dear All, In my simulation system, I have one peptide with 10 cosolvent molecules and 989 water molecules. I want to have an idea of the interactions energies between peptide-water, peptide-cosolvent etc. Using g_energy , if I obtain a total of -687kJ interaction energy between peptide-water, should I divide the value by no. of water molecules to get the value per water molecule? Or is it a 'per peptide' value and cannot be divided by no.of water molecules? Please help. Yours sincerely Apramita Chand -- Gromacs Users mailing list
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