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Date of this version of the software: July 28, 2008

AMBERPLUS-version 2008/A9.46-M2008

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 2008 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
  • Umbrella sampling of a difference between two bond distances
  • 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 2008, one requires AMBER version 9 with bugfixes 1-46 and MC-TINKER version 2008.

    AMBERPLUS-version 2008/A9.46-M2008 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, print, fill out, and sign the license below and either fax it to Donald G. Truhlar at 612-626-9390 or scan it and send it as an e-mail attachment to software@comp.chem.umn.edu. 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