
https://arxiv.org/abs/2011.01207

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