Tinker 8: Software Tools for Molecular Design

By Joshua A. Rackers, Zhi Wang, Chao Lu, Marie L. Laury, Louis Lagardère, Michael J. Schnieders, Jean‐Philip Piquemal, Pengyu Y. Ren, Jay W. Ponder. Journal of Chemical Theory and Computation, 2018

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The Tinker software, currently released as version 8, is a modular molecular mechanics and dynamics package written primarily in a standard, easily portable dialect of Fortran 95 with OpenMP extensions. It supports a wide variety of force fields, including the modern polarizable atomic multipole-based AMOEBA model. The package runs on Linux, macOS and Windows systems. In addition to canonical Tinker there are branches, Tinker-HP and Tinker-OpenMM, designed for use on MPI-parallel distributed memory supercomputers and on state-of-the-art graphical processing units (GPUs), respectively. The Tinker suite also includes a tightly integrated Java-based graphical user interface called Force Field Explorer (FFE), which provides molecular visualization capabilities as well as the ability to launch and control Tinker calculations.

Subfields: Materials Chemistry, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/5ab7be99da2b4a0b3082080ee3a8874311561890

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