limei zhang wrote:
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?
The program spits out a reference to an Eisenberg paper. Please check
the code as well. In my hands the results are close to useless.
Thanks very much,
Limei
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