HPC Amber README
Supercomputer documentation is always a work in progress! Please email questions, corrections, or suggestions to the HPC support team at email@example.com as usual. Thanks!
See also the Amber Frequently Asked Question list.
Getting Started with Amber
Amber can refer to two things: a set of molecular mechanical force fields for the simulation of biomolecules (which are in the public domain, and are used in a variety of simulation programs); and a package of molecular simulation programs which includes source code and demos.
See the Amber Molecular Dynamics Package home page.
For information about Amber 12, see the Amber 12 New Features page.
- Use sander for serial runs (one CPU)
- Use sander.MPI for MPI runs (more than one CPU)