[Dock-fans] Help: How to seperate GB/SA Score to each residue?

[thirsty]

I got these value from dock.out     but I cannot find any correlative
information about them

" RECEPTOR
 GPSELF=-31980.4 GPSHLD=28318.7 SASA=13797.2
 Total: GB=-3661.73 SA=75.7008 Time=146.188s
LIGAND
 GPSELF=-557.713 GPSHLD=360.11 SASA=893.681
 Total: GB=-197.603 SA=5.76375 Time=1.282s
COMPLEX
 GPSELF=-32361.5 GPSHLD=28746.2 SASA=13636.3
 Total: GB=-3615.23 SA=74.8287 Time=170.547s "

What`s the meaning of GPSELF/GPSHLD?      What`s the different between
SASA(solvent accessible surface area? ) and SA(surface area?)

If I want to know the GB/SA or Vdw of an appointed residue? What should I
write in dock.in?

Thank you!

GuanXin
2009.03.26
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