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Supported Applications

AmberTools

  • Description

    consists of several independently developed packages that work well by themselves, and with Amber itself. The suite can also be used to carry out complete (non-periodic) molecular dynamics simulations (using NAB), with generalized Born solvent models

  • Usage Notes

    If Amber is available at your site, the AmberTools installation bundled with the Amber installation with be configured and used in your shell. If your site does not have an Amber license, the standalone AmberTools installation will be configured in your shell.

    If for some reason you want to use the standalone AmberTools instead of the version bundled with Amber, you can set AMBERTOOLS_PREFFERED=true in your ~/.sbgrid.conf to override the default setting.

  • Primary Citation*

    D. Case, J. Berryman, R. Betz, D. Cerutti, T. Cheatham, III, T. Darden, R. Duke, T. Giese, H. Gohlke, A. Goetz, N. Homeyer, S. Izadi, P. Janowski, J. Kaus, A. Kovalenko, T. Lee, S. LeGrand, P. Li, T. Luchko, R. Luo, B. Madej, K. Merz, G. Monard, P. Needham, H. Nguyen, H. Nguyen, I. Omelyan, A. Onufriev, D. Roe, A. Roitberg, R. Salomon-Ferrer, C. Simmerling, W. Smith, J. Swails, R. Walker, J. Wang, R. Wolf, X. Wu, D. York, and P. Kollman. 2015. AMBER 2015. University of California, San Francisco.
    (Note: Use this citation when citing Amber 2015 (comprised of AmberTools15 and Amber14) in the literature.)


    • *Full citation information available through

  • Keywords

    Computational Chemistry

  • Default Versions

    Linux 64:  17
    OS X INTEL:  17

  • Other Available Versions

      Linux 32:

      1.5
    • Linux 64:

      16, 15
    • OS X INTEL:

      16, 15
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