[gmx-users] g_current and output redirection

[Dommert Florian]

Hello Vitaly,

the intention to write out informations to the stdout and the stderr was
that you have the ability to sort it during the analysis. However as
Justin mentionen >& will write all open pipes into one file.

Cheers,
Flo

On Tue, 2011-05-10 at 13:16 -0400, Vitaly Chaban wrote: 
> Thanks, Justin! Great solution.
> 
> On Tue, May 10, 2011 at 12:57 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> >
> >
> > 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
> >
> > ========================================
> >


-- 
Florian Dommert
Dipl. - Phys.

Institute for Computational Physics
University Stuttgart

Pfaffenwaldring 27
70569 Stuttgart

EMail: dommert at icp.uni-stuttgart.de
Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert

Tel.: +49 - (0)711 - 68563613
Fax.: +49 - (0)711 - 68563658
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