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

doi:10.1021/acs.jcim.3c01153

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AmberTools

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https://doi.org/10.1021/acs.jcim.3c01153

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Abstract

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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AmberTools

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