[gmx-users] Fwd: Individual energies of amino acids

abhigna polavarapu abhignap at gmail.com
Fri Jun 8 19:10:49 CEST 2007

Hi Mark,
              I need to calculate the individual energies of aminoacids
using Gromacs. But while using energygrps option in .mdp file for each amino
acid I can only calculated the nonbonded energies of this residue. Is there
a way where I can calculated the bonded interactions for each amino acid?
Thank you
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