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Date of this version of the software: December 16, 2010

AMBERPLUS-version 2010/AT1.4.16-A11.11-M2010

Masahiro Higashi and Donald G. Truhlar
Department of Chemistry and Supercomputing Institute, University of Minnesota, Minneapolis, MN 55455-0431, U. S. A.

Abstract

AMBERPLUS version 2010 is a patch that incorporates the following methods into one of the modules of AMBER, in particular sander, which carry outs energy minimization, molecular dynamics (MD), and NMR refinements. AMBERPLUS introduces:
  • the TINKER tapering function for long-range electrostatic interactions
  • the link atom method with a fixed value of the ratio of the Q1-QL bond length to the Q1-M1 bond length
  • multi-configuration molecular mechanics (MCMM) or electrostatically embedded multi-configuration molecular mechanics (EE-MCMM) method as one of the methods for the quantum mechanical (QM) region of a combined QM/MM calculation; this is accomplished by using MC-TINKER program

  • To install the AMBERPLUS version 2010, one requires AMBER version 11 with bugfixes 1-11, AMBERTOOLS version 1.4 with bugfixes 1-16, and MCSI version 2010.

    AMBERPLUS-version 2010/AT1.4.16-A11.11-M2010 User Manual

  • PDF format
  • To obtain AMBER:

    The AMBER package is a licensed code available at the AMBER homepage.

    Software:

    The AMBERPLUS package is available for downloading (Web access only) at the University of Minnesota. To obtain AMBERPLUS from Minnesota, please fill out the online license form at the link below. You will then receive the password required for downloading by email. AMBERPLUS distribution at Minnesota is currently being handled by Software Manager.

    Links to other pages of interest:


    This document last modified Wednesday, 15-April-2009 by Software Manager