The current published version did not include a few supporting files, namely, two tables containing detailed results of the calculations (Table S1 and Table S2) and also the input files needed to reproduce the paper results. The two tables are inside the tables.zip file, and the input files are inside input-files.zip, both uploaded as Supporting Information in this addition submission. The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jctc.4c01153. input-files.zip (ZIP) tables.zip (ZIP) Most electronic Supporting Information files are available without a subscription to ACS Web Editions. Such files may be downloaded by article for research use (if there is a public use license linked to the relevant article, that license may permit other uses). Permission may be obtained from ACS for other uses through requests via the RightsLink permission system: http://pubs.acs.org/page/copyright/permissions.html. The Article Processing Charge for the publication of this research was funded by the Coordination for the Improvement of Higher Education Personnel - CAPES (ROR identifier: 00x0ma614). This article has not yet been cited by other publications.

中文翻译：

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更正为“BAT2：用于灵活、自动化和低成本绝对绑定自由能计算的开源工具”


当前发布的版本不包括一些支持文件，即包含详细计算结果的两个表格（表 S1 和表 S2）以及重现论文结果所需的输入文件。这两个表位于 tables.zip 文件中，输入文件位于 input-files.zip 中，两者都作为支持信息在此添加提交中上传。支持信息可在 https://pubs.acs.org/doi/10.1021/acs.jctc.4c01153 免费获取。input-files.zip （ZIP） tables.zip （ZIP） 大多数电子支持信息文件无需订阅 ACS Web 版本即可获得。此类文件可以按文章下载用于研究用途（如果有链接到相关文章的公共使用许可证，则该许可证可能允许其他用途）。可以通过 RightsLink 权限系统（http://pubs.acs.org/page/copyright/permissions.html）请求，从 ACS 获得用于其他用途的权限。本研究发表的文章处理费由高等教育人员改进协调组织 - CAPES（ROR 标识符：00x0ma614）资助。本文尚未被其他出版物引用。