Amber 18.15-AmberTools-19.8-foss-2019a-Python-2.7.15

There is a newer version of Amber

Amber (originally Assisted Model Building with Energy Refinement) is software for performing molecular dynamics and structure prediction.

Accessing Amber 18.15-AmberTools-19.8-foss-2019a-Python-2.7.15

To load the module for Amber 18.15-AmberTools-19.8-foss-2019a-Python-2.7.15 please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load Amber/18.15-AmberTools-19.8-foss-2019a-Python-2.7.15

There is a GPU enabled version of this module: Amber 18.15-AmberTools-19.8-fosscuda-2019a-Python-2.7.15

BEAR Apps Version

2021a

More Information

For more information visit the Amber website.

Dependencies

This version of Amber has a direct dependency on: Boost.Python/1.70.0-gompi-2019a bzip2/1.0.6-GCCcore-8.2.0 foss/2019a matplotlib/2.2.4-foss-2019a-Python-2.7.15 netCDF/4.6.2-gompi-2019a netCDF-Fortran/4.4.5-gompi-2019a Python/2.7.15-GCCcore-8.2.0 X11/20190311-GCCcore-8.2.0 zlib/1.2.11-GCCcore-8.2.0

Other Versions

These versions of Amber are available on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 4th September 2019