Add a header of residue number to res output file - #1
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Now the output file with the _res suffix contains a header specifying the residue number along with the energy it represents, in order to make the parsing of this file easier.
The general format is "RES" + "residue_number" + "_energy_type".
Also, this file now contains the total per-residue energy at every frame, again making the parsing easier.
The general format is "RES" + "residue_number" + "_Total".