[gmx-users] radius of gyration - compactness - accessible surface area

[shahab shariati]

Dear Tsjerk

thanks for your attention.

 larger radius of gyration, more surface. and smaller radius of
gyration, less surface.

I want to obtain solvent accessible surface area using g_sas.

g_sas -f *.xtc -s *.tpr -n *.ndx -o -or -oa.

I will obtain three output files containing: area.xvg, resarea.xvg and
atomarea.xvg

If I want to obtain average of ASA  to compare with Rg (I want to know
in my system, with increase of Rg, how do ASA
change?), which of above output files are suitable for this aim?


best regards
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