@@ -16,9 +16,22 @@ For instance, a pre-equilibrated atomistic membrane may be used to create starti
PyCGTOOL makes it easy to test multiple variations in mapping and bond topology by making simple changes to the config files.
If you find this useful, please cite as:
```
Graham, J. (2017). PyCGTOOL, https://doi.org/10.5281/zenodo.598143
If you find PyCGTOOL useful, please cite our JCIM paper (https://doi.org/10.1021/acs.jcim.7b00096) and the code itself (https://doi.org/10.5281/zenodo.598143).
```bibtex
@article{Graham2017,
author={James A. Graham and Jonathan W. Essex and Syma Khalid},
doi={10.1021/acs.jcim.7b00096},
issn={1549-9596},
issue={4},
journal={Journal of Chemical Information and Modeling},
month={4},
pages={650-656},
title={PyCGTOOL: Automated Generation of Coarse-Grained Molecular Dynamics Models from Atomistic Trajectories},