AmberTools is a suite of MD tools and associated programs that can be run with or without Amber.
Availability
All 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 sander
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.
Source
Obtained from ambermd.org
Admin notes
See /usr/local/shared/buildthings/ambertools for Xenial.
For Bionic and beyond, AMBERMD.org 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 #19m20s
