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How to obtain AmberTools18

AmberTools is a free, useful standalone package and a prerequisite for installing Amber itself. The AmberTools suite is free of charge, and its components are mostly released under the GNU General Public License (GPL). A few components are included that are in the public domain or which have other, open-source, licenses. The libsander and libpbsa libraries use the LGPL license.

Option 1: Getting source code

This is the traditional way AmberTools has been distributed. It is recommended for most users, and is the requried path if you also want to get Amber. AmberTools is distributed in source code format, and must be compiled in order to be used. You will need C, C++ and Fortran90 compilers.

The Reference Manual is available in pdf format, and included in the distribution. It may help you to see if AmberTools meets your needs.

To download version 18 of the AmberTools distribution, please fill in the following form and click the "Download" button. The file size you should get is 380918731, and the md5sum is d1dad7397d7a35623861f53fd5a8fa0f.

Note: Installation instructions are in Chapter 2 of the 2018 Amber Reference Manual. More detailed instructions for many machines may be found at Jason Swails' blog page. We also have simplified requirements for MacOS, Linux and Windows 10.

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Option 2: Binary distribution via conda.

This is a relatively new option: Users of the conda python system can install a serial, binary (pre-compiled) distribution as follows:

  conda install ambertools=18 -c http://ambermd.org/downloads/ambertools/conda/

This should work for Linux and MacOS systems, with python versions 2.7 to 3.6; but it is experimental, and does not provide access to parallel or gpu-optimized codes. This provides a simple way to get started with AmberTools, and to install it into many workflows, but it is not a substitute for the full source-code distributions listed above.

Option 3: Binary distribution without conda.

Non-conda users can follow:

  wget http://ambermd.org/downloads/install_ambertools.sh
  # Or: curl http://ambermd.org/downloads/install_ambertools.sh -O
  bash install_ambertools.sh -v 3 --prefix $HOME --non-conda

To see more options:

  bash install_ambertools.sh -h

The caveats listed above for Option 2 are relevent here as well.


How to obtain Amber18

Amber18 facilitates faster simulations (on parallel CPU or GPU hardware) and is distributed with a separate license and fee structure. Click here for the Amber 18 License Agreement (PDF). Print this form, fill it out, sign and return (with your payment) to the address given at the bottom of the license agreement. Once your order is processed, you will receive download information via email. PDF versions of the Reference Manual are included in the download.

Please note: The Amber18 license is a site license, valid for any number of users and any number of computers. The computers may be located anywhere (such as in the "cloud", or at remote computing centers.) There are restrictions on using the codes on behalf of others who do not have an Amber license; see the license document for details.

Also note: Each release of Amber (which happens every two years) is treated as separate product, and requires a new license form and a new fee.

Fees:

  • Academic/non-profit/government: $500 (US dollars).
  • Industrial (for-profit): $20,000 for new licensees, $15,000 for licensees of Amber 16.
  • Porting and demonstration licenses are available, as are licenses for computing centers are available: see the License Agreement for details.
  • Custom payment schedules or subscription-based approaches can be arranged: please send email to amber-admin@biomaps.rutgers.edu for more information.)

  • People who licensed Amber 16 after February 1, 2018 are eligible for a free upgrade to Amber 18. (This is not automatic: if you wish to obtain the new version, you need fill out and submit a new License Agreement, indicating that you are eligible for the upgrade.)

Payment for all orders for Amber must received prior to shipment of the Software. Payment must be via check, money order, or credit card (Mastercard/Visa/American Express). Make payments to: Regents, University of California. We are sorry, but purchase orders and wire transfers can no longer be accepted.

Once payment is received, an email will be sent to the address provided by the customer on the License Agreement containing a username and password, along with instructions on how to download the software.

Fee Waivers

Waivers for the license fee are available for scientists outside of North America, Western Europe and Japan. Please send email to amber-admin@biomaps.rutgers.edu, explaining your situation, and your need for the pmemd program (all other parts of Amber are available for free).

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Last modified: Aug 17, 2018