[gmx-users] Making Commands Non-Interactive

Omer Markovitch omermar at gmail.com
Mon Oct 5 11:25:20 CEST 2009


Have you tried:
    echo 0 > zero
    trjconv bla bla bla < zero
You could put more arguments in the file, for example - use the "-center"
option, and then echo another 0 into the zero file.
--Omer.

On Sun, Oct 4, 2009 at 18:22, ABEL Stephane 175950 <Stephane.ABEL at cea.fr>wrote:

> Dear GMX Users,
>
> echo 0 | /usr/pbs/bin/mpiexec /scratch/name/gromacs-4.0.5/bin/trjconv_mpi
> -s Peptide_43A1_topol.tpr -f ./XTC/Whole_Traj_43A1.xtc -o
> ./XTC/Whole_Traj_43A1noPBC.xtc -pbc mol -ur compact. With the selection 0
> ("System")
>
>
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