[gmx-users] non interactive command

[Justin A. Lemkul]

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 <jalemkul at vt.edu 
> <mailto:jalemkul at 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>
> 
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-- 
========================================

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

========================================