Amber

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

Note

This page is autogenerated. For usage guidance, see the Amber and AmberTools guide.

After connecting to Stanage (see Establishing a SSH connection), start an interactive session:

salloc

A version of Amber can then be made available with one of the following:

module load Amber/26.3-foss-2025b-CUDA-12.8.0-pmemd
module load Amber/24.3-foss-2023a-AmberTools-24.10
module load Amber/24.0-foss-2023b-AmberTools-24.0-CUDA-12.4.0

Notes

Amber was installed using Easybuild, build details can be found in $EBROOTAMBER/easybuild with a given module loaded.

Direct dependencies for latest version of Amber