Constant-Stress Dynamics Lesson, Introduction

In the lesson on constant-stress dynamics, you will read in the amorphous cell of a 76-mer of polypropylene, which is a periodic system. Next you will specify the applied stress and run constant-stress dynamics. Then you will submit the run as a background job through the Insight interface. Finally, you will plot the stress and strain components of the system vs. time.

The main topics covered in this lesson include:

Specifying constant-stress dynamics on a periodic system.
Selecting a host and execution mode for a background job.
Writing out a command input file
Running a background job
Using the Background_Job pulldown to monitor a background job's status.

Additional topics include:

Starting an Insight tutorial.
Setting display defaults for molecules
Bringing a molecule into the Insight display area.
Accessing the Discover program from the Insight interface.
Informing the Discover program of the system you want to work with.
Setting up the equilibration stage of molecular dynamics
Setting up the data-collection stage
Specifying what is to be output at the end of a run.
Checking whether a background job has completed
Looking up completion status codes
Viewing the output file.
Quitting the Insight program.

Constant-Stress Dynamics Lesson, Instructions

Annotated input file.
Annotated output file.

Main access page

Insight UIF access.

Insight UIF - Tutorial access