[gmx-users] g_sas

Chih-Ying Lin chihying2008 at gmail.com
Sun Apr 4 07:13:14 CEST 2010

THe command =>
g_sas_mpi -f 6LYZ-MD566500.xtc -s 6LYZ-MD566500.tpr -o
solvent-accessible-surface.xvg -oa atomic-sas.xvg -or residue-sas.xvg

In the solvent-accessible-surface.xvg =>
@ s0 legend "Hydrophobic"
@ s1 legend "Hydrophilic"
@ s2 legend "Total"
@ s3 legend "D Gsolv"

What does "Hydrophobic" mean here?
What does "Hydrophilic" mean here?
Does "Total = Hydrophobic+Hydrophilic" ?
What does "D Gsolv" mean here?
How can Gromacs define "Hydrophobic atoms" and "Hydrophilic atoms" ?

What does the Area unit mean ? =>  "Area (nm\S2\N)"

Thank you
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