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AmberTools is a suite of MD tools and associated programs that can be run with or without Amber.


AllĀ managed Linux workstations. Can be installed on clusters on request.

Instructions for users: 
Ubuntu 16.04 (Xenial)

This version of Ambertools is built to use MPI.

module add mpi/openmpi/64/gnu/1.6.5
module add ambertools/16/19 
mpirun -n 2 sander.MPI
Ubuntu 18.04 (Bionic) and 20.04 (Focal)

These versions of Ambertools are serial-only.

module add ambertools
Licence Details: 

Mostly released under GPL/LGPL. A few components are included that are in the public domain or which have other, open-source, licenses.


Obtained from

Admin notes: 

See /usr/local/shared/buildthings/ambertools for Xenial.

For Bionic and beyond, have started providing a conda binary package which we have installed into /usr/local/shared/ubuntu-18.04 as follows:

# as root:
module load anaconda/python3/2021.11
time conda create -y -p /usr/local/shared/ubuntu-20.04/x86_64/amber20 -c conda-forge ambertools=20 compilers

System status 

System monitoring page

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