AMBER

AMBER is a package of molecular simulation programs which includes source code and demos.

AMBER is not installed for general use on Bridges, but if you have your own license, you can install it yourself.  We may provide help installing it. Many users are using AMBER on the GPUs nodes this way.

Sample scripts for AMBER use are available in directory /opt/packages/examples/amber on Bridges.

Documentation

Installing AMBER 

General installation instructions are given in the AMBER web site.

Explicit instructions to install Amber successfully on Bridges can be found on Bridges in directory /opt/packages/examples/amber.

 

Running AMBER

When you have installed AMBER in your defined $AMBERHOME directory, you can run jobs using it, by creating batch jobs and submitting them to the GPU or GPU-shared partitions.  See the Running jobs section of the Bridges User Guide for more information on creating and submitting batch jobs.