Computational Molecular Biophysics
Best Bang for Your Buck: GPU Nodes for GROMACS Biomolecular Simulations
Molecular Dynamics Simulation with GROMACS
Performant PME simulations — GROMACS GPU Performance
How to run mdrun in gpu powered system?
Lysozyme in Water
GROMACS Molecular Dynamics & GPU Acceleration | NVIDIA Data Center
Why is GPU state copied so often? - User discussions - GROMACS forums
Performant PME simulations — GROMACS GPU Performance
How to run mdrun in gpu powered system?
GROMACS Molecular Dynamics & GPU Acceleration | NVIDIA Data Center
Molecular Simulation with GROMACS on CUDA GPUs
Molecular Simulation Methods with Gromacs - Prace Training Portal
MDBenchmark: a toolkit to optimize the performance of molecular dynamics simulations
Gromacs: src/gromacs/gpu_utils/gpu_utils.h File Reference
GROMACS
Using GPUs with Molecular Dynamics codes: optimizing usage from a user perspective Dr. Ole Juul Andersen CCK-11 February 1, ppt download
GROMACS - ULHPC Technical Documentation
Slow MD simulation and problem with GPU support - User discussions - GROMACS forums
lab07_MDsims.ipynb - Colaboratory
More bang for your buck: Improved use of GPU nodes for GROMACS 2018 - Kutzner - 2019 - Journal of Computational Chemistry - Wiley Online Library
Gromacs performance on different GPU types
Starting with GROMACS and OpenCL - StreamHPC
