[gmx-users] What are lines for g_sas -or file.xvg not g_sas -o file.xvg?

[David van der Spoel]

Arthur Roberts wrote:
>> time hydrophobic-SAS hydrophilic-SAS total-SAS hydration-free-enthalpy
> 
> is for:
> 
> "g_sas -s mdrun.tpr -f mdrun.trr -o mdrun.xvg"
> 
> not
> 
> "g_sas -s mdrun.tpr -f mdrun.trr -or mdrun.xvg"
> 
> There are only two lines in the xmgrace file.  One is black.  It is the 
> larger number and the other is red.
> 
> It is much appreciated.

Your question is a bit terse...

the -or option plots the average + std. dev. area per residue, the -o as 
a function of time for everything


-- 
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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