[gmx-users] trjconv select group

[Justin A. Lemkul]

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?

http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts

-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

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