[gmx-users]D Gsol from g_sas calculation

[limei zhang]

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