I need to run a series of Molecular Dynamics simulations by applying different stresses on a system using Discover. I need to do this using a script because I need to extract a structure from previous dynamics trajectory and apply an increased stress. I need to carry this out, for example, at 0, 0.2, 0.4, 0.6, .. 2.0 GPa, and for each dynamics simulation I need to take the structure from the previous trajectory.

The question is: is there a way I can produce a script to submit the job to a Linux server? When I use Forcite, I normally submit the job using Perl script, but Discover is not supported here. P.S. I must use Discover since it is the only module which allows you to apply a specific stress in a particular direction.

Thanks for your help!

Christine