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.gitignore
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CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/charmm36m-mut.ff/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/ASP-CYM/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/ASP-GLU/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/ASP-HSD/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/ASP-HSE/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/ASP-LSN/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/CYM-ASP/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/CYM-GLU/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/CYM-HSD/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/CYM-HSE/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/CYM-LSN/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/GLU-ASP/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/GLU-CYM/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/GLU-HSD/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/GLU-HSE/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/GLU-LSN/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSD-ASP/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSD-CYM/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSD-GLU/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSD-HSE/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSD-LSN/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSE-ASP/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSE-CYM/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSE-GLU/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSE-HSD/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/HSE-LSN/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/LSN-ASP/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/LSN-CYM/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/LSN-GLU/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/LSN-HSD/
CC_news_014_alchemical_pKa_calculation_and_error_cancellation/pKa_matrix/Charmm36m/LSN-HSE/