- The input file examples in this repository have been verified to work with PaCS-Toolkit version 1.0, which was used in J Phys Chem B, 128, 3631 (2024).
- Please note the following:
- In version 1.1 and later, new options may have been added.
- The inputs in this repository might not work as expected in newer versions.
- For the latest information, please refer to the documentation and code.
-
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Example of input files for PaCS-Toolkit