[gmx-users] g_sas : Total surface area

Kavyashree M hmkvsri at gmail.com
Wed Dec 12 09:06:26 CET 2012

Dear users,

I was calculating solvent accessible surface area for a trajectory
using g_sas. I used an index file with 3 sets (A, B, C) of mutually
exclusive residues but summing up to 20 amino acids. Then using
g_sas calculated sas for these 3 sets separately and whole protein
separately for the same trajectory.
I was expecting that the average value of
Total surface area (protein) ~ Total surface area (A)+Total surface area
(B)+Total surface area (C)
But it is not so.
Could anyone explain me why?

Thank you

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