[gmx-users] Information about g_sas

[Justin A. Lemkul]

Alex Jemulin wrote:
> Dear all
>  
> Which is the difference between hydropilic and hydrophobic sas?

g_sas computes hydrophobic and hydrophilic surface area based on the absolute 
value of the partial charge of the atom, which can be adjusted with the -qmax flag.

> How can give an interpretation to g_sas xvg graph?

Interpretation of the results is based on the question being asked and the group 
being analyzed, things that only you know.

> What can I find out in it and how can use g_sas to analyze a trajectory?
>  

Start by reading g_sas -h.

-Justin

-- 
========================================

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
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================