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

David van der Spoel spoel at xray.bmc.uu.se
Sat May 5 22:07:07 CEST 2007

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 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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