[gmx-users] residue SASA

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 7 20:58:32 CEST 2011

ahmet yıldırım wrote:
> Dear users,
> I want to calculate hydrophilic and hyrophobic SASA value of each 
> residue in protein. I used a command as the following:
> g_sas -f run.xtc -s run.tpr -or protein_protein.xvg
> Select a group for calculation of surface and a group for output
> select a group: 1 (protein)
> select a group: 2 (protein)
> But there is SASA value of each residue in the output file. How can I 
> seperate the residues as a hydrophilic and hyrophobic SASA?

This is already in the output file.  Check the legends of area.xvg and you will see.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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