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

[Tsjerk Wassenaar]

Hi Shahab,

When comparing two variables, they have to share an axis. Time for instance...

Cheers,

Tsjerk

On Tue, Jun 21, 2011 at 6:36 AM, shahab shariati
<shahab.shariati at gmail.com> wrote:
> 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?
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands