COVID-19 phase advance release of the Tinker-HP native single & multi-GPU acceleration platform

The code is free for Academics via Github and allows for large scale molecular dynamics simulations using polarizable force fields such as AMOEBA : https://github.com/TinkerTools/tinker-hp/tree/master/GPU ; Check out the ArXiv preprint paper describing the functionalities

https://arxiv.org/abs/2011.01207

GitHub

GitHubTinkerTools/tinker-hpTinker-HP: High Performance Massively Parallel Evolution of Tinker on CPUs and GPUs – TinkerTools/tinker-hp

arXiv.org

arXiv.orgTinker-HP : Accelerating Molecular Dynamics Simulations of Large…We present the extension of the Tinker-HP package (Lagardère et al., Chem. Sci., 2018,9, 956-972) to the use of Graphics Processing Unit (GPU) cards to accelerate molecular dynamics simulations…