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v1.0.0
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th2ch-g committed Apr 26, 2024
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4 changes: 2 additions & 2 deletions README.md
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## 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
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2 changes: 1 addition & 1 deletion pacs/_version.py
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__version__ = "0.1.2"
__version__ = "1.0.0"

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