AmberTools.

David A Case,Hasan Metin Aktulga, Kellon Belfon, David S Cerutti, G Andrés Cisneros,Vinícius Wilian D Cruzeiro,Negin Forouzesh,Timothy J Giese,Andreas W Götz,Holger Gohlke,Saeed Izadi,Koushik Kasavajhala,Mehmet C Kaymak,Edward King,Tom Kurtzman,Tai-Sung Lee,Pengfei Li,Jian Liu,Tyler Luchko,Ray Luo,Madushanka Manathunga,Matias R Machado,Hai Minh Nguyen,Kurt A O'Hearn,Alexey V Onufriev, Feng Pan,Sergio Pantano,Ruxi Qi,Ali Rahnamoun, Ali Risheh,Stephan Schott-Verdugo, Akhil Shajan, Jason Swails,Junmei Wang,Haixin Wei,Xiongwu Wu,Yongxian Wu, Shi Zhang,Shiji Zhao,Qiang Zhu,Thomas E Cheatham,Daniel R Roe,Adrian Roitberg,Carlos Simmerling,Darrin M York,Maria C Nagan,Kenneth M Merz

Journal of chemical information and modeling（2023）

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摘要

AmberTools is a free and open-source collection of programs used to set up, run, and analyze molecular simulations. The newer features contained within AmberTools23 are briefly described in this Application note.

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