The pmemd.cuda GPU Implementation

Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.

Fast Implementation of the Nudged Elastic Band Method in AMBER

Biomolecules, Free Full-Text

The pmemd.cuda GPU Implementation

Amber Hardware & Software Configurations

GPU-Accelerated All-atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

Amber (PMEMD) GPU Support

Running AMBER on a GPU Cluster - Microway

GPU-Accelerated All-Atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

Full article: Solvated and generalised Born calculations differences using GPU CUDA and multi-CPU simulations of an antifreeze protein with AMBER

Fast Implementation of the Nudged Elastic Band Method in AMBER

GPU-Accelerated All-atom Particle-Mesh Ewald Continuous Constant pH Molecular Dynamics in Amber

TI Calculation with DDBoost

Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package - Mermelstein - 2018 - Journal of Computational Chemistry - Wiley Online Library

Simple Simulation of Alanine Dipeptide