[gmx-users] g_sas resarea.xvg
Mark.Abraham at anu.edu.au
Sat Nov 6 12:57:16 CET 2010
On 4/11/2010 11:04 PM, Justin A. Lemkul wrote:
> Carla Jamous wrote:
>> Hi everyone,
>> I used g_sas: g_sas -s .tpr -f .xtc -n .ndx -o .xvg -or resarea.xvg
>> What I don't understand is why there are 3 columns in the file
>> resarea.xvg although this is what's written in my file:
>> # g_sas is part of G R O M A C S:
>> # GROtesk MACabre and Sinister
>> @ title "Area per residue"
>> @ xaxis label "Residue"
>> @ yaxis label "Area (nm\S2\N)"
>> @TYPE xy
>> So I would expect this file to contain only two columns. I'm using
>> gromacs version 4.0.3.
> Residue, average area, standard deviation.
Fixed in git.
>> Thanks for your help,
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