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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.
