[gmx-users] g_current and output redirection

Justin A. Lemkul jalemkul at vt.edu
Tue May 10 18:57:08 CEST 2011



Vitaly Chaban wrote:
> I have a pure linux question. When using g_current and trying to
> redirect its output to the file, e.g.
> 
> g_current -temp $TEMPER -b $conduct_b -e $conduct_e << EOF >> output
> 0
> EOF
> 
> only a part of output is written to the file ("output")
> 
> Here is what is actually written to the file:
> 
> Selected 0: 'System'
> Average translational dipole moment M_J [enm] after 25001 frames
> (|M|^2): 5.554790 -5.833042 -0.539783 (68.255722)
> Average molecular dipole moment M_D [enm] after 25001 frames (|M|^2):
> -0.414639 -0.356325 0.148187 (2.359227)
> 
> Thus, the relevant data (sigma, dielectric constant) are missed. My
> question is how to redirect all the output of "g_current" to my file.
> 

echo 0 | g_current (options) &>outfile

-Justin

> 
> Thanks!
> 
> Dr. Vitaly V. Chaban, Department of Chemistry
> University of Rochester, Rochester, New York 14627-0216

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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