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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.

    Licensing and downloading:

    AMBERPLUS - version 2010 is licensed under the Apache License, Version 2.0.
    The manual of AMBERPLUS - version 2010 is licensed under CC-BY-4.0.

    Publications of results obtained with the AMBERPLUS - version 2010 software should cite the program and/or the article describing the program.

    No guarantee is made that this software is bug-free or suitable for specific applications, and no liability is accepted for any limitations in the mathematical methods and algorithms used within. No consulting or maintenance services are guaranteed or implied.

    The use of the AMBERPLUS - version 2010 implies acceptance of the terms of the licenses. The software may be downloaded here.

    Links to other pages of interest:

    This document last modified on Oct. 20, 2022
    Updated by:  Software Manager