[gmx-users] trjconv select group

[lina]

On Friday 03,February,2012 09:56 PM, francesca vitalini wrote:
> Yes but those tips are not for bash scripts... :(

You'd better post what you have done so far about this script,

probably someone can help you improve or refine it.


>
>
>
> 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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