AMBER MD Workstations

AMBER MD is a suite of biomolecular simulation programs. AMBER 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). Avanta Digital Systems is a provider of AMBER optimized Computer Workstations for Molecular Dynamics and develops turnkey solutions to provide value-add systems for GPU accelerated Molecular Dynamics simulations.

The Amber18 package builds on AmberTools18 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 Amber 18 include:

Free energy calculations on GPUs
GPU support for 12-6-4 ion potentials
Domain decomposition for CPU-parallelism
Nudged elastic band calculations for pmemd (CPU and partial GPU implementation)
Constant redox potential calculations, to supplement constant pH simulations
Support and significant performance improvements for the latest Maxwell, Pascal and Volta GPUs from NVIDIA.
New pmemd.gem code for advanced force fields, including AMOEBA

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