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
========================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
