AmberTools

A. Case, David; Metin Aktulga, Hasan; Belfon, Kellon; S. Cerutti, David; Andrés Cisneros, G.; Wilian D. Cruzeiro, Vinícius; Forouzesh, Negin; J. Giese, Timothy; W. Götz, Andreas; Gohlke, Holger; Izadi, Saeed; Kasavajhala, Koushik; Cagri Kaymak, Mehmet; J. King, Edward; Kurtzman, Tom; Lee, Tai‐Sung; Li, Pengfei; Liu, Jian; Luchko, Tyler; Luo, Ray; Manathunga, Madushanka; Machado, Matías; Nguyen, Hai; A. O’Hearn, Kurt; V. Onufriev, Alexey; 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; E. Cheatham, Thomas; R. Roe, Daniel; E. Roitberg, Adrián; Simmerling, Carlos; M. York, Darrin; C. Nagan, Maria; M. Merz, Kenneth

doi:10.1021/acs.jcim.3c01153

Public

AmberTools

Published in Journal of Chemical Information and Modeling • Oct 8, 2023

Authors:

David A. Case

Hasan Metin Aktulga

Kellon Belfon

Abstract

High Resolution Image Download MS PowerPoint Slide 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.

Subject

Computer science

Set (abstract data type)

Open source

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