Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost potential to smooth the potential energy surface and reduce system energy barriers. http://miao.compbio.ku.edu/GaMD/
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Update clean-gamd-runner to handle the dual-boost and any associated changes. #9
Update clean-gamd-runner to handle the dual-boost and any associated changes.