├── EMBED.yml ├── MD.md ├── MTD.md ├── NAVIGATION.md ├── README.md ├── SC.md ├── defsystem.md ├── files ├── Ag6-FES.png ├── MD.png ├── MD.py ├── MTD-SC.py ├── MTD.py ├── SC-MTD.py ├── cluster.png ├── fes.png ├── isomerLJ.xyz ├── isomerSC.xyz ├── plotterFES.py ├── plotterMD-traj.py ├── plumedLJ.dat ├── plumedMTD-LJ.dat ├── plumedSC.dat ├── postpro.py └── trajectory.png ├── install.md ├── restart.md └── theory.md /EMBED.yml: -------------------------------------------------------------------------------- 1 | ref1: 2 | location: 21/001 3 | type: internal -------------------------------------------------------------------------------- /MD.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/Sucerquia/ASE-PLUMED_tutorial/HEAD/MD.md -------------------------------------------------------------------------------- /MTD.md: -------------------------------------------------------------------------------- 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