├── .gitignore ├── LICENSE ├── README.md ├── paper ├── Equilibration_Workflow.pdf ├── Equilibration_fig.png ├── PBC_figure.pdf ├── basic_training.bib ├── basic_training.pdf ├── basic_training.suppinfo ├── basic_training.tex ├── charges_ewald.pdf ├── equilibration_fig.py ├── ewald.pdf ├── livecoms-sample.bib ├── livecoms.cls ├── potentials_basic_horiz.pdf ├── py_decay_comparison.pdf ├── simplelandscapes.pdf ├── temp_graphic_files │ ├── Ethanol-3D-balls.png │ ├── Water-3D-balls-A.png │ ├── erf_paper.py │ ├── erfc_paper.m │ ├── potentials.ai │ ├── potentials_basic.pdf │ ├── potentials_basic_horiz.pdf │ └── potentials_new.ai └── vancouver-livecoms.bst └── releases ├── LiveCoMS_Article_ASAP_V1.pdf ├── LiveCoMS_Article_VV1.pdf └── header_V1.0.jpg /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/MobleyLab/basic_simulation_training/HEAD/.gitignore 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