J Chem Inf Model. 2023 Oct 8. doi: 10.1021/acs.jcim.3c01153. Online ahead of print.
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.
PMID:37805934 | DOI:10.1021/acs.jcim.3c01153
