[gmx-users] g_current and output redirection

[Vitaly Chaban]

Hi Flo,

Do you imply that conductivity and dielectric constant from g_current
go to the error stream? But why, if these are not errors....

Vitaly



On Wed, May 11, 2011 at 5:07 AM, Dommert Florian
<dommert at icp.uni-stuttgart.de> wrote:
> 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
>> >
>> > ========================================