[gmx-users] residue SASA
ahmedo047 at gmail.com
Thu Jul 7 21:07:25 CEST 2011
There are hydrophilic and hydrophobic SASA values versus simulation time in
the output file (area.xvg). I want to hydrophilic and hydrophobic SASA
values versus residue.
2011/7/7 Justin A. Lemkul <jalemkul at vt.edu>
> 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
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
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