[gmx-users] g_sas -or

[David van der Spoel]

Anthony Cruz Balberdi wrote:
> Hi:
> I am using the g_sas with the -or option . The output file have 3 colums: first the res number, second the sasa value, 
> third I dont know. To what corresponds the third columnin the file?
A quick peak in the source code:

	fluc2 = res_area2[res]-sqr(res_area[res]);
	if (fluc2 < 0)
	  fluc2 = 0;
	fprintf(fp,"%10d  %10g %10g\n",res+1,res_area[res],sqrt(fluc2));

In other words, it is the standard deviation of the area over the 
trajectory.

> 
> Best regards 
> 
> Anthony
> 
> -------------------------------------------------------------
> 	Antes ahora y siempre COLEGIO
> 	University of Puerto Rico at Mayaguez
> 	http://www.uprm.edu
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> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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://folding.bmc.uu.se
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