Re: [gmx-users] g_current and output redirection
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 jalem...@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: domm...@icp.uni-stuttgart.de Homepage: http://www.icp.uni-stuttgart.de/~icp/Florian_Dommert Tel.: +49 - (0)711 - 68563613 Fax.: +49 - (0)711 - 68563658 signature.asc Description: This is a digitally signed message part -- gmx-users mailing listgmx-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
Re: [gmx-users] g_current and output redirection
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 domm...@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 jalem...@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 -- gmx-users mailing listgmx-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
[gmx-users] g_current and output redirection
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. Thanks! Dr. Vitaly V. Chaban, Department of Chemistry University of Rochester, Rochester, New York 14627-0216 -- gmx-users mailing listgmx-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
Re: [gmx-users] g_current and output redirection
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 listgmx-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
Re: [gmx-users] g_current and output redirection
Thanks, Justin! Great solution. On Tue, May 10, 2011 at 12:57 PM, Justin A. Lemkul jalem...@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 -- gmx-users mailing listgmx-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
