[gmx-users] Calculating energies of amino acids in a protein using g_energy

abhigna polavarapu abhignap at gmail.com
Tue May 15 21:11:09 CEST 2007

     I have to calculate the energy of each amino acid in the protein. In
one of the questions in mailing list

I came across this and this is what exactly what i should do. Can you please
explain that in a more clear way as I am getting an error when i editted the
steep.mdp file for the energygrps option saying that the topology file
topol.top does not match the out.gro file.
Thank you
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