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Go back to Pengyu Ren Lab website


On this site you will find information about the Tinker-Openmm (GPU) development, installation and simulaiton tutorials.

Github site for Tinker CPU and GPU software: https://github.com/TinkerTools 

Please contact pren@mail.utexas.edu for questions and suggestions. 

  • TINKER-OPENMM is a high performance molecular modeling and simulation platform.
  • It allows running molecular dynamics using the polarizable AMOEBA force field on NVIDIA GPUs. 
  • You will be able to use regular TINKER files and set up tools to perform MD.
  • Instead of using the "dynamic.x" for CPU,  use "dynamic_omm.x" to launch simualtions on GPUs. 
  • The simulations will be performed on our modified openMM via the Tinker-OpenMM interface.