MBAR program

Published: 8 January 2017| Version 1 | DOI: 10.17632/zyzfv2p2cd.1
Contributor:
Piero Procacci

Description

********************************************************************** MBAR Copyright (C) 2013 Simone Marsili and Piero Procacci ********************************************************************** Multiple Bennett Acceptance ratio (MBAR) algorithm with BAR estimate for contiguous replicas. See COPYING for terms and conditions of use and distribution of the program. ********************************************************************** The program is provided (for unix platforms alone) as a compressed tar archive [mbar.tar.gz]. Download the file mbar.tar.gz and uncompress with $ tar -zxvf mbar.tar.gz A "SI_bar" directory is created containing this README a COPYING file and two sub-directories: src -> source directory with the MBAR program examples -> directory containing a simple test. to compile the program cd into "src" dir and do $ make to run the tests cd into the "examples" dir and do $ ./BAR.bash For more info see the README files inside "src" and "examples"

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Computer Program

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