AMBER

Software Description:

Amber is a suite of biomolecular simulation programs. It began in the late 1970s, and is maintained by an active development community; see our history page and our contributors page for more information.

The term "Amber" refers to two things. First, it is a set of molecular mechanical force fields for the simulation of biomolecules (these force fields are in the public domain, and are used in a variety of simulation programs). Second, it is a package of molecular simulation programs which includes source code and demos.

Amber is distributed in two parts: AmberTools18 and Amber18. You can use AmberTools18 without Amber18, but not vice versa. See the Download Amber link for information on how to download the code.

Amber is developed in an active collaboration of David Case at Rutgers University, Tom Cheatham at the University of Utah, Ken Merz at Michigan State University, Adrian Roitberg at the University of Florida, Carlos Simmerling at SUNY-Stony Brook, Ray Luo at UC Irvine, Junmei Wang at the University of Pittsburgh, Ross Walker at GSK, and many others. Amber was originally developed under the leadership of Peter Kollman.

Software Home Page: Amber

Software Documentation:

To run this software in a Linux environment on LCC,
run the command(s):

#To Load module
#If you have intel compiler loaded already then
module swap intel gnu/5.4.0
module load impi/ccs/amber/18
#To unload module
module unload impi/ccs/amber/18