[gmx-users] g_sas -oa

[David van der Spoel]

On Mon, 2003-03-17 at 08:49, Frauke Meyer wrote:
> Hi all,
> 
> according to the online reference g_sas with the -oa option should
> give you the area per atom.
> The xvg file I get looks like that:
> ...
> # All this happened at: Mon Mar 17 15:22:01 2003
> #
> @    title "Area per atom"
> @    xaxis  label "Atom #"
> @    yaxis  label "Area (nm\S2\N)"
> @TYPE xy
>    1 0.0307876 0.000947877
>    2 0.0452389 0.00204656
>    3 0.203575 0.0414429
> ...
> 
> I just expected two columns (like for resarea.xvg when using the -or
> option): atom no. and total area.
> Which of the two values is the total SAS and what is the other value?
A simple check of the source code is often revealing...

It is actually the standard deviation in the area.
> 
> Thanks in advance,
> Frauke
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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