Download amber md free

A key design feature of the GPU code is that the entirety of the molecular dynamics calculation is performed on the GPU. This means that only one CPU core is needed to drive a simulation and a server full of four or eight GPUs can run one independent simulation per card without loss of performance provided that there are at least the same number of free CPU cores available as GPUs in use.

Most commodity CPU chips have at least four cores. Another key feature of this design choice is that it means low cost CPUs can be used which coupled with custom designed precision models and bitwise reproducibility use to validate consumer cards gives AMBER unrivaled performance per dollar.

The Amber16 GPU simulation engine released in improved performance on the contemporary Maxwell architectures and adapted the code to work on Pascal architectures. Amber16 also added a number of important features, including:. In terms of features Amber18 adds support for enhanced sampling and free energy computations, including:.

Romelia Salomon-Ferrer; Andreas W. Theory Comput. DOI: Comm , , , pp, DOI: It began in the late 's, and is maintained by an active development community; see our history page and our contributors page for more information. The term "Amber" refers to two things. First, it is a set of molecular mechanical force fields for the simulation of biomolecules these force fields are in the public domain, and are used in a variety of simulation programs.

Second, it is a package of molecular simulation programs which includes source code and demos. Amber is distributed in two parts: AmberTools21 and Amber You can use AmberTools21 without Amber20, but not vice versa.

See the Download Amber link for information on how to download the code. Amber was originally developed under the leadership of Peter Kollman. Conflex has created an Introduction to Amber in Japanese.

Salomon-Ferrer, D. 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 Amber20 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.

Porting and demonstration licenses are available, as are licenses for computing centers: see the License Agreement for details. Custom payment schedules or subscription-based approaches can be arranged: please send email to dacase. People who licensed Amber18 after January 1, are eligible for a free upgrade to Amber 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. Make payments to: Regents, University of California.