[gmx-users] Designating an output directory

Justin A. Lemkul jalemkul at vt.edu
Wed Aug 5 22:31:58 CEST 2009

Warren Gallin wrote:
> Hi,
> Is there any way to set the directory where the output from mdrun will 
> be written if I do not want to have it in the directory from which I am 
> giving the command?

Either specify it explicitly or use an environment variable, i.e.:

mdrun -o ./my/target/directory/traj.trr


export MY_DIR=/my/target/directory

mdrun -o $MY_DIR/traj.trr

Of course, the use of export/setenv/etc. will depend on your environment.


> Thanks,
> Warren Gallin
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use thewww 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list