Hi to all,
I did surface calculation on a protein either with or without Cu-binding,
using g_sas with exactly the same parameter setting. For the delta solvation
energy from the output file (the the 5th column in the output file with a
label of D Gsol), non-Cu bound protein gives all 0, but the Cu-protein gives
values from 0- 4 KJ/mol/nm^2. Could anyone tell me how the delta solvation
free energy is calculated? Particularly, what is the delta solvation free
energy relative to?
Thanks very much,
Limei
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