[gmx-users] trjconv select group

[francesca vitalini]

Yes but those tips are not for bash scripts... :(



2012/2/3 Mark Abraham <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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