Amber16 is now available!
We are pleased to announce the release (on April 30, 2016) of version 16
of the Amber software suite.
(How to order.) This represents a
significant update from version 14, which was released in April, 2014.
The Amber16 package builds on AmberTools16 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:
- Semi-Isotropic Pressure Scaling (GPU)
- Charmm VDW Force Switch (CPU, GPU)
- Enhanced NMR Restraint support + R^6 averaging support
- Gaussian Accelerated Molecular Dynamics (CPU, GPU)
- Support for external electric fields (CPU)
- Expanded umbrella sampling support (GPU)
- Constant pH supported with replica exchange along pH
- Support for gas phase MD (igb=6) (CPU, GPU)
- Support and significant performance improvements for the
latest Kepler, Maxwell and Pascal GPUs from NVIDIA.
Coming soon, via the Amber update mechanism (which is automatically run when
you execute the
- Adaptively-biased MD, now with "well-tempering" and other
- Support for Intel Knights Landing Xeon Phi on date of
- Improved CPU GB performance and scaling.
- Improved CPU PME performance and scaling.
- Thermodynamic integration and FEP support on GPU.
- Support for external electric fields (GPU).
- NVIDIA Pascal GPU optimizations.
- Support for CUDA 8.0.