Accelerated Amber MD
The latest in GPU hardware featuring NVIDIA A100, Quadro RTX, RTX 3090/3080/3070, and more to run faster AMBER MD simulations.
Work with example job submission scripts, benchmarks, a fully validated test suite, and the latest software patches for quick implementation.
Plug and Play
Exxact workstations and servers are fully turnkey, built to perform right out of the box so you avoid the errors of configuration and setup.
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Accelerate AMBER 20 Performance
AMBER 20 Available in Exxact Systems
The AMBER 20 package builds on AmberTools20 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:
- Major extensions for alchemical free energy calculations using soft-core potentials
- Reservoir and hybrid replica exchange additions
- "Ligand" and "peptide" version of Gaussian accelerated MD
- New interface to external force libraries with support for MB-pol simulations with MBX
- Support for NVLINK interconnects through NCCL library, and other changes that affect parallel-GPU simulations
Exxact AMBER Certified GPU Systems
All Exxact AMBER systems come preinstalled with the latest version and updates. Each system is fully turnkey, ready to run out of the box, and provides guaranteed performance. This provides a solution for scientists to acquire optimal workstations and clusters for running GPU AMBER (and regular CPU AMBER simulations as well).