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Amber24 is now available!

We are pleased to announce the release (on April 30, 2024) of version 24 of the Amber software suite. (How to order.) This represents a significant update from version 22, which was released in April, 2022.

The Amber24 package builds on AmberTools24 by adding the pmemd program, which resembles the sander (molecular dynamics) code in AmberTools, but provides (much) better performance on multiple CPUs, and dramatic speed improvements on GPUs.

Major new features include (more coming soon):

  • More extensions for alchemical free energy calculations using soft-core potentials, and some advanced lambda scheduling options.
  • Methods for studying ligand-protein interactions using Gaussian accelerated MD (LIG-GaMD).
  • Updates to self-guided Langevin dynamics, using both momentum and force guiding factors; updated replica exchange capability.

"How's that for maxed out?"

Last modified: May 1, 2024