How to Install Amber24 (&AmberTools24) into Ubuntu.
- Extract Amber Archives First, extract the Amber archives in /home. Replace AmberTools16 and Amber16 with the appropriate version numbers for Amber24.
tar xvfj AmberTools24.tar.bz2
tar xvfj Amber24.tar.bz2
Determine your current directory and set the AMBERHOME environment variable: pwd
export AMBERHOME=/home/yourusername/amber24
- Replace /home/yourusername with your actual home directory path.
Install necessary dependencies:
sudo apt-get install csh flex gfortran g++ xorg-dev zlib1g-dev libbz2-dev patch python-tk
Source the Amber environment file:
source /home/yourusername/amber24/amber.sh
- Replace /home/yourusername with your actual home directory path.
Compile Amber and run tests:
make install
make test
- This process may take some time.
Add the Amber environment to your .bashrc file:
sudo nano ~/.bashrc
Add the following line at the end of the file:
source /home/yourusername/amber24/amber.sh"
Save (Ctrl+O, Enter) and exit(Ctrl+X) the editor. Then, source your updated .bashrc:
source ~/.bashrc
To verify the installation, open a new terminal and type:
tleap
This should display the version information like below
-I: Adding /home/username/amber24/dat/leap/prep to search path.
-I: Adding /home/username/amber24/dat/leap/lib to search path.
-I: Adding /home/username/amber24/dat/leap/parm to search path.
-I: Adding /home/username/amber24/dat/leap/cmd to search path.
Welcome to LEaP!
(no leaprc in search path)
>
- Exit By putting "quit".
For detailed troubleshooting, refer to the Amber Manual: https://ambermd.org/doc12/Amber20.pdf Additional Resources Official Amber Website: https://ambermd.org/index.php Amber24 Documentation: https://ambermd.org/doc12/Amber20.pdf
Please ensure you comply with Amber's licensing terms. Amber is not free software and requires a license for use.