├── GaMD ├── PyReweighting-2D.py ├── analysis.cpptraj ├── chignolin.pdb ├── chignolin.prmtop ├── chignolin.rst ├── md.in ├── reweight-2d.sh └── run.sh ├── LICENSE ├── Metadynamics ├── chignolin.pdb ├── chignolin.prmtop ├── chignolin.rst ├── chignolin_all.pdb ├── md.in ├── plumed_amber.dat └── run.sh ├── README.md └── traj.cpptraj /GaMD/PyReweighting-2D.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Sonti974948/Enhanced-Sampling-in-AMBER-tutorial/HEAD/GaMD/PyReweighting-2D.py -------------------------------------------------------------------------------- /GaMD/analysis.cpptraj: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Sonti974948/Enhanced-Sampling-in-AMBER-tutorial/HEAD/GaMD/analysis.cpptraj -------------------------------------------------------------------------------- /GaMD/chignolin.pdb: 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