aiswarya pawar wrote:
justin,
if i use echo command then i need to run again and again for each
selection right? how can i run as whole bunch.
I don't understand your question. You can write a trivial shell script for all
of your analysis, e.g.:
#!/bin/bash
echo 4 4 | g_rms -f traj.xtc -s topol.tpr
echo 1 | g_gyrate -f traj.xtc -s topol.tpr
(etc)
-Justin
Thanks
On Wed, Sep 28, 2011 at 10:31 PM, Justin A. Lemkul <jalem...@vt.edu
<mailto:jalem...@vt.edu>> wrote:
aiswarya pawar wrote:
Hi users,
I have n number of program to run so my index file is huge, i
want to know if i use the command option g_energy -flags <
choice.txt , it takes up the numbers given right? but if i have
n numbers in the choice txt. how would it take in each run , ie
it will take 1st two numbers and what about the rest?
You should only provide the chosen number(s), otherwise the program
will try to read all of them. In the case where you have many
different programs to run, it is vastly easier to run, for instance:
echo x y | g_program -flags
-Justin
--
==============================__==========
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu <http://vt.edu> | (540) 231-9080
http://www.bevanlab.biochem.__vt.edu/Pages/Personal/justin
<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
==============================__==========
--
gmx-users mailing list gmx-users@gromacs.org
<mailto:gmx-users@gromacs.org>
http://lists.gromacs.org/__mailman/listinfo/gmx-users
<http://lists.gromacs.org/mailman/listinfo/gmx-users>
Please search the archive at
http://www.gromacs.org/__Support/Mailing_Lists/Search
<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
<mailto:gmx-users-requ...@gromacs.org>.
Can't post? Read http://www.gromacs.org/__Support/Mailing_Lists
<http://www.gromacs.org/Support/Mailing_Lists>
--
========================================
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
