├── Automized_run.py ├── Automized_run.pyc ├── LICENSE ├── README.md ├── broken_equil_f1000.mdp ├── broken_topol.top ├── edissoc.dat ├── ffbonded.itp ├── functions.py ├── functions.pyc ├── index_backbone.ndx ├── main.py ├── min.mdp ├── npt.gro ├── p_equil.mdp ├── plumed.dat ├── pullf1000_broken.mdp ├── pullf1500.mdp ├── pullf1500_equil.mdp ├── readme.txt ├── temp_equil.mdp └── topol.top /Automized_run.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/HITS-MBM/kimmdy/HEAD/Automized_run.py -------------------------------------------------------------------------------- /Automized_run.pyc: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/HITS-MBM/kimmdy/HEAD/Automized_run.pyc -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 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