add citation

README.md

@@ -47,8 +47,7 @@ see [document](https://kitaolab.github.io/PaCS-Toolkit/) for more information.
 ## Citation
 ~~~markdown
 - PaCS-Toolkit
-The paper is under consideration. The information will be updated upon publication.
-[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. Submitted.
+[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

docs/src/README.md

@@ -49,7 +49,21 @@ judge -- Yes --> End;
 ```
 
 ## Citation
-```
+```bib
+@article{Ikizawa2024,
+  title = {PaCS-Toolkit: Optimized Software Utilities for Parallel Cascade Selection Molecular Dynamics (PaCS-MD) Simulations and Subsequent Analyses},
+  volume = {128},
+  ISSN = {1520-5207},
+  url = {http://dx.doi.org/10.1021/acs.jpcb.4c01271},
+  DOI = {10.1021/acs.jpcb.4c01271},
+  number = {15},
+  journal = {The Journal of Physical Chemistry B},
+  publisher = {American Chemical Society (ACS)},
+  author = {Ikizawa,  Shinji and Hori,  Tatsuki and Wijaya,  Tegar Nurwahyu and Kono,  Hiroshi and Bai,  Zhen and Kimizono,  Tatsuhiro and Lu,  Wenbo and Tran,  Duy Phuoc and Kitao,  Akio},
+  year = {2024},
+  month = apr,
+  pages = {3631–3642}
+}
 ```
 
 ## Access