[gmx-users] trjconv select group

[Justin A. Lemkul]

francesca vitalini wrote:
> Yes but those tips are not for bash scripts... :(
> 
> 

Sure they are.  This works in a bash script (replacing -flags with something 
actually sensible):

echo 3 3 | g_rms -flags

-Justin

> 
> 2012/2/3 Mark Abraham <Mark.Abraham at anu.edu.au 
> <mailto:Mark.Abraham at anu.edu.au>>
> 
>     On 4/02/2012 12:21 AM, francesca vitalini wrote:
> 
>         Hi!
>         I have to use the gromacs command trjconv to obtain a .gro file
>         from a .xtc and a .pdb file. I have to do it for several files
>         in a bash for loop so I'd rather prefer to find a way to make my
>         script type in the trjconv interactive terminal always the same
>         number for the system. Any tips?
> 
> 
>     Check out
>     http://www.gromacs.org/__Documentation/How-tos/Using___Commands_in_Scripts
>     <http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts>
> 
>     Mark
> 
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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

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