diff --git a/docs/user_guide/installation.md b/docs/user_guide/installation.md index d4cd73550..19f0f31b7 100644 --- a/docs/user_guide/installation.md +++ b/docs/user_guide/installation.md @@ -13,6 +13,12 @@ pip install jax==0.3.17 ```bash pip install jax-md==0.2.0 ``` ++ 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 diff --git a/examples/mbar/ben-prm.xml b/examples/mbar/ben-prm.xml index bac99356d..51ca52004 100644 --- a/examples/mbar/ben-prm.xml +++ b/examples/mbar/ben-prm.xml @@ -18,11 +18,6 @@ - - - - -