FEN ZI = Moving Molecules on GPUs

FEN ZI (yun dong de FEN ZI = Moving MOLECULES) is a CUDA code that enables large-scale, GPU-based MD simulations. In FEN ZI, the complete MD simulation is performed on GPUs.

FEN ZI currently includes:

  • NVT and NVE ensembles (NPT coming soon)
  • Force field: CHARMM force field3, Flexible Water Models4
  • Lennard-Jones interactions: Switching or shifting
  • Long distance electrostatic interactions: Ewald summation method and Reaction field
  • Solvent: Explicit or implicit model; TIP3; Flexible SPC/Fw water model
  • Exclusion lists for VDW and electrostatic interactions: NBXMod from 1 to 5

FEN ZI - Download code

The code of FEN ZI is now available in Google Code. Let us know if you want to help extending the code. Any help or feedback is welcome!

FEN ZI Presentations

Click HERE to download the slides of our presentation on FEN ZI at HiCOMB 2011 in Anchorage (Alaska) in May 2011.

Click HERE to download the slides of our presentation on FEN ZI at the NVIDIA GTC 2010 Conference in San Jose (CA) on September 23, 2010.