On 4/16/13 10:52 AM, Abhinav Agrawal wrote:
I have a series of commands which I want to run a simulation. Is there a
way I can issue them together at the start such that the second command is
automatically executed after the first one finishes and so on without any
manual input.
Just list them in a shell script exactly as you would enter them yourself.
http://www.gromacs.org/Documentation/How-tos/Using_Commands_in_Scripts
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
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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