├── LICENSE ├── README.md ├── YAMACS_1_PDB2GMX.py ├── YAMACS_2_equilibration.py ├── YAMACS_3_MD.py ├── YAMACS_4_MdPlay.py ├── YAMACS_5_Select_atom.py ├── YAMACS_User_Manual.odt ├── YAMACS_additional_files.zip ├── community_guidelines.md └── video_tutorials ├── 1_Yamacs_installation.webm ├── 2_protein_MD.webm ├── 3_protein_ligand_complex.webm ├── 4_protein_ligand_complex_acpype.webm └── readme.md /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/README.md -------------------------------------------------------------------------------- /YAMACS_1_PDB2GMX.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/YAMACS_1_PDB2GMX.py -------------------------------------------------------------------------------- /YAMACS_2_equilibration.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/YAMACS_2_equilibration.py -------------------------------------------------------------------------------- /YAMACS_3_MD.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/YAMACS_3_MD.py -------------------------------------------------------------------------------- /YAMACS_4_MdPlay.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/YAMACS_4_MdPlay.py -------------------------------------------------------------------------------- /YAMACS_5_Select_atom.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/YAMACS_5_Select_atom.py -------------------------------------------------------------------------------- /YAMACS_User_Manual.odt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/YAMACS_User_Manual.odt -------------------------------------------------------------------------------- /YAMACS_additional_files.zip: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/YAMACS_additional_files.zip -------------------------------------------------------------------------------- /community_guidelines.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/community_guidelines.md -------------------------------------------------------------------------------- /video_tutorials/1_Yamacs_installation.webm: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/video_tutorials/1_Yamacs_installation.webm -------------------------------------------------------------------------------- /video_tutorials/2_protein_MD.webm: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/video_tutorials/2_protein_MD.webm -------------------------------------------------------------------------------- /video_tutorials/3_protein_ligand_complex.webm: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/video_tutorials/3_protein_ligand_complex.webm -------------------------------------------------------------------------------- /video_tutorials/4_protein_ligand_complex_acpype.webm: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/video_tutorials/4_protein_ligand_complex_acpype.webm -------------------------------------------------------------------------------- /video_tutorials/readme.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YAMACS-SML/YAMACS/HEAD/video_tutorials/readme.md --------------------------------------------------------------------------------