Latest News

  • Q-AMOEBA

    Published On: octobre 22, 2022

    New paper published in the Journal of Physical Chemistry B: Improving Condensed-Phase Water Dynamics with Explicit Nuclear Quantum Effects: The Polarizable Q-AMOEBA Force Field. [...]

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  • New website

    Published On: octobre 15, 2022

    Tinker-HP's new website is now launched. It will gather the various ressources dedicated to Tinker-HP. We will keep it updated with new manuals, tutorials and [...]

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  • Tinker-HP GPU version available on GitHub

    Published On: octobre 15, 2022

    Tinker-HP is now available on NVIDIA GPUs!!! It enables to perform multi-GPUs/multi-nodes simulations with various force fields and neural network (Deep-HP interface). The reference [...]

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  • Tinker-HP fighting against the COVID-19

    Published On: septembre 21, 2020

    15.14 Mics SARS_Cov2 Protease data - Full trajectory: AMOEBA_15mics_sampling You can find here our data representing 15.14-microsecond AMOEBA simulation of the apo enzyme started from the [...]

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Latest Tweet

#compchem #HPC Latest #preprint: ANKH: A Generalized O(N) Interpolated Ewald Strategy for Molecular Dynamics Simulations. Important step for us towards #Exascale MD polarizable simulations with Tinker-HP @TINKERtoolsMD. Great work by Igor Chollet. https://doi.org/10.48550/arXiv.2212.08284

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