diff --git a/README.md b/README.md index 544bd47..0cec660 100644 --- a/README.md +++ b/README.md @@ -45,9 +45,9 @@ see [document](https://kitaolab.github.io/PaCS-Toolkit/) for more information. ## Citation -~~~markdown +~~~txt - PaCS-Toolkit -[1] Ikizawa, S, Hori, T., Wijana, T.N., Kono, H., Bai, Z., Kimizono, T., Lu, W., Tran, D.P., & Kitao, A. PaCS-Toolkit: Optimized software utilities for parallel cascade selection molecular dynamics (PaCS-MD) simulations and subsequent analyses. J. Phys. Chem. B. 128, 15, 3631-3642 (2024). https://doi.org/10.1021/acs.jpcb.4c01271 +[1] Ikizawa, S.*, Hori, T.*, Wijana, T.N.*, Kono, H., Bai, Z., Kimizono, T., Lu, W., Tran, D.P., & Kitao, A. PaCS-Toolkit: Optimized software utilities for parallel cascade selection molecular dynamics (PaCS-MD) simulations and subsequent analyses. J. Phys. Chem. B. 128, 15, 3631-3642 (2024). https://doi.org/10.1021/acs.jpcb.4c01271 - Original PaCS-MD or targeted-PaCS-MD (t-PaCS-MD) [2] Harada, R., & Kitao, A. Parallel cascade selection molecular dynamics (PaCS-MD) to generate conformational transition pathway. J. Chem. Phys. 139, 035103 (2013). https://doi.org/10.1063/1.4813023 diff --git a/pacs/_version.py b/pacs/_version.py index b3f4756..5becc17 100644 --- a/pacs/_version.py +++ b/pacs/_version.py @@ -1 +1 @@ -__version__ = "0.1.2" +__version__ = "1.0.0"