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The Cambridge Energy Landscape Database
https://www-wales.ch.cam.ac.uk/CCD.html13 Jun 2024: Am. Chem. Soc., 132, 13300-13312 (2010) compressed tar file. ... Chem. Phys. (2017) compressed tar file. -
PATHSAMPLE website
https://www-wales.ch.cam.ac.uk/examples/PATHSAMPLE/22 Jun 2024: Example input. The example input provided here has been tested with the version of PATHSAMPLE specified in the README file within each archive. -
Atomic and Molecular Clusters - Software
https://www-wales.ch.cam.ac.uk/software.html22 Mar 2022: Please visit A.J. Stone's homepage to download the program. perm-prmtop.py: A python program for preparing a new topology file for Amber9 by Edyta Malolepsza. ... For the new topology file the energy is invariant to permutation of such atoms or groups. -
GMIN website
https://www-wales.ch.cam.ac.uk/examples/GMIN/22 Jun 2024: The example input and output provided here has been tested with the version of GMIN specified in the README file within each archive, or in the corresponding output files.
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