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AMBER "Lite": Some AMBER-Tools-Based Utilities

Wolf, Romain (2011) AMBER "Lite": Some AMBER-Tools-Based Utilities. Amber Home Page.

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AMBER ”Lite” is a small set of utilities making use of the free AMBER Tools package (currently for version 1.3 or higher). The main focus is on the preparation of files for MM(GB)(PB)/SA-type simulations. The utilities can be used as deliv-
ered or they can serve as a starting point for further development. Examples are included to illustrate the concepts or to test the correct functioning of the installa-
tion. The text also contains a (very) condensed introduction to some AMBER file preparation concepts. For more precise and detailed information, users should read the original AMBER manuals (available for free from the home page of AMBER ( ) and scan through the excellent tutorials prepared over the years by a number of people.

Item Type: Article
Keywords: Amber Tools based utilities; Amber simulations preparation,;free energy calculations
Date Deposited: 13 Oct 2015 13:16
Last Modified: 13 Oct 2015 13:16