Dear Amber Users,
I found that Res-Res energy shows different value
With or without explicit solvent, i.e.,
With solvent
TDC 79-> 79 0.000 -1.567 -5.462 0.000 0.000
Without solvent
TDC 79-> 79 0.000 -1.346 -5.709 0.000 0.000
I thought that res-res energy meant direct non-bonded interaction energy
between the two residues, but does it include energetic contribution from
the other all residues?
If so, what is the formulation?
I am most grateful if you let me know.
Sincerely yours,
Ikuo KURISAKI
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Received on Tue Nov 19 2013 - 04:30:02 PST
