abhigna polavarapu wrote:
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?
I answered this already.
http://www.gromacs.org/pipermail/gmx-users/2007-June/027899.html Please
don't re-post identical questions.
Mark
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