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

Abstract

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 (http://ambermd.org/ ) 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
URI:	https://oak.novartis.com/id/eprint/3401