Using AmberMD on Seawulf

"Amber" refers 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 ambermd.org for more info.

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This Information is Intended for: Faculty, Guests, Researchers, Staff, Students, Teaching Assistants
Last Updated: October 13, 2017

Current Version

Amber16 and AmberTools17 are available on SeaWulf as a module.  The current version was built using a GNU software stack and is compiled for parallel and gpu using MVAPICH2.2rc1, GCC 4.8.5, and CUDA 8.0.44.This can be accessed by:

module load amber/16

For more tutorials or more information about amber, see: http://ambermd.org/questions.html

 

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