[gmx-users] Protein-protein interaction energy
tarak20489 at gmail.com
Fri May 2 18:32:20 CEST 2014
Could anyone guide me to analyze protein-protein interaction energy
in a MD trajectory?
I'm simulating a dimer and want to see the interaction energy
between the two monomers.
Is it the same way like specifying the two chains (say residues
1-100 and in the other monomer residues 101-200) and then extract all the
energy terms, add them to get the total interaction energy as a function of
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