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that can be used both within the AMBER software suite and with many modern computational platforms.

The original version of the AMBER software package was written by Paul Weiner as a post-doc in Peter Kollman's laboratory, and was released in 1981.

Subsequently, U Chandra Singh expanded AMBER as a post-doc in Kollman's laboratory, adding molecular dynamics and free energy capabilities.

The next iteration of AMBER was started around 1987 by a group of

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