• Stars
    star
    68
  • Rank 457,643 (Top 10 %)
  • Language
    Python
  • License
    MIT License
  • Created about 4 years ago
  • Updated 5 months ago

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Repository Details

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/