diff --git a/README.md b/README.md index d474a91b5..ddf13902b 100644 --- a/README.md +++ b/README.md @@ -34,10 +34,9 @@ DOI: 10.1021/acs.jctc.2c01297` ## Developer Guide + [1. Introduction](docs/dev_guide/introduction.md) -+ [2. Software architecture](docs/dev_guide/arch.md) -+ [3. Coding conventions](docs/dev_guide/convention.md) -+ [4. Document writing](docs/dev_guide/write_docs.md) -+ [5. An example for developing: how to write a generator?](docs/dev_guide/generator.ipynb) ++ [2. Coding conventions](docs/dev_guide/convention.md) ++ [3. Document writing](docs/dev_guide/write_docs.md) ++ [4. An example for developing: how to write a generator?](docs/dev_guide/generator.ipynb) ## Code Structure diff --git a/docs/user_guide/2.installation.md b/docs/user_guide/2.installation.md index bf361d5d5..d2e21cebf 100644 --- a/docs/user_guide/2.installation.md +++ b/docs/user_guide/2.installation.md @@ -17,6 +17,12 @@ pip install "jax[cuda11_local]==0.4.14" -f https://storage.googleapis.com/jax-re conda install -c conda-forge mdtraj==1.9.7 pip install optax==0.1.3 pymbar==4.0.1 jaxopt==0.8.1 ``` ++ Install [mdtraj](https://github.com/mdtraj/mdtraj), [optax](https://github.com/deepmind/optax) and [pymbar](https://github.com/choderalab/pymbar): +```bash +conda install -c conda-forge mdtraj==1.9.7 +pip install optax==0.1.3 +pip install pymbar==4.0.1 +``` + Install [OpenMM](https://openmm.org/): ```bash conda install -c conda-forge openmm==7.7.0