[gmx-users] Export trajectory file every 20ps of 100ps run

YOLANDA SMALL yas102 at psu.edu
Mon Jun 20 00:36:25 CEST 2005

Hello All,

I would like to run a 100ps trajectory but my system is very large so the run
only gets to 30ps before it crashes because the trajectory file becomes larger
than 2GB in filesize. I would like to avoid having to manually restart the job
every 20ps.

Is there a pre-existing script to run the entire job and export a trajectory
file every 20ps along the way?


More information about the gromacs.org_gmx-users mailing list