Dear all, I would like to extract the interaction energies (LJ and electrostatic) between each residue pairs from my trajectory. The g_enemat tool generates only 3 xpm image files (Coul-SRemat.xpm, LJ-SRemat.xpm, totalemat.xpm) but not a "data" file with the residue-residue interaction energies I'm looking for. Is there a way to get these numbers? Or have I to read the xpm "matrix" and convert all those letters to the corresponding energy values? Finally, is there a way to get pairwise residue-residue interaction energy values from each snapshot of my trajectory ?
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