openmm-atmmetaforce-plugin
The Alchemical Transfer Method Plugin for OpenMM
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Description
This plugin implements the Alchemical Transfer Potential (ATM) for the calculation of absolute and relative binding free energies of molecular complexes in OpenMM, a high performance toolkit for molecular simulation.
About
Summary
The Alchemical Transfer Method Plugin for OpenMM
Last Updated
Apr 1, 2023 at 21:36
License
LGPL-2.0-only
Total Downloads
0
GitHub Repository
https://github.com/Gallicchio-Lab/openmm-atmmetaforce-plugin.git