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# AmberTools 24 and 25 (Conda-based installation)

The AmberTools 24 and AmberTools 25 packages are installed via Conda environments, not as standard modules. This is because the module system cannot handle the source command required to activate Conda environments.

# AmberTools 24 – Activation

To activate AmberTools 24, use the following commands:

source /opt/exp_soft/rocky_9/amber/24/conda/etc/profile.d/conda.sh
conda activate AmberTools24
source $CONDA_PREFIX/amber.sh

# AmberTools 25 – Activation

To activate AmberTools 25, use the following:

source /opt/exp_soft/rocky_9/amber/25/conda/etc/profile.d/conda.sh
conda activate AmberTools25
source $CONDA_PREFIX/amber.sh

Notes

  • Make sure no other Conda environment is active before running these commands.
  • Each AmberTools version has a separate environment; activate only the one you need.
  • You can create a helper script (e.g. run_ambertools24.sh) to simplify repeated use.

# Helper Script Example

You can create a helper script to simplify activation:

For AmberTools 24:

#!/bin/bash
# run_ambertools24.sh
source /opt/exp_soft/rocky_9/amber/24/conda/etc/profile.d/conda.sh
conda activate AmberTools24
source $CONDA_PREFIX/amber.sh
echo "AmberTools 24 activated successfully!"

For AmberTools 25:

#!/bin/bash
# run_ambertools25.sh
source /opt/exp_soft/rocky_9/amber/25/conda/etc/profile.d/conda.sh
conda activate AmberTools25
source $CONDA_PREFIX/amber.sh
echo "AmberTools 25 activated successfully!"

Make the scripts executable:

chmod +x run_ambertools24.sh
chmod +x run_ambertools25.sh

Important

Ensure that no other Conda environment is active before switching between AmberTools versions to avoid conflicts.

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