[gmx-users] trjconv select group

[Mark Abraham]

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

Mark