Apologies if this has been answered earlier in the list. I searched to no avail.
The output of pairwise per-residue decomposition shows the interaction energy of a particular residue with itself, e.g.
Resid 1
Resid 2
Internal
van der Waals
Electrostatic
Polar Solvation
Non-Polar Solv.
TOTAL
ARG 220
ASP 78
0.00
0.11
-34.32
29.88
-0.46
-4.79
ARG 220
GLU 74
0.00
-1.05
-23.03
21.20
-0.61
-3.49
ARG 220
ARG 220
0.00
0.00
0.00
2.79
0.52
3.31
I’d appreciate if someone shed some insight as to the significance of this.
Thanks in advance
George
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Received on Wed May 04 2016 - 12:30:03 PDT
