Tinker 8: Software Tools for Molecular Design

Abstract : 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 polarizable models such as the Atomic Multipole Optimized Energetics for Biomolecular Applicatons (AMOEBA) force field. 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 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.
Document type :
Journal articles
Complete list of metadatas

Cited literature [135 references]  Display  Hide  Download

Contributor : Jean-Philip Piquemal <>
Submitted on : Friday, June 22, 2018 - 9:48:12 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM
Long-term archiving on : Monday, September 24, 2018 - 2:54:36 PM


 Restricted access
To satisfy the distribution rights of the publisher, the document is embargoed until : 2019-08-11

Please log in to resquest access to the document



Joshua Rackers, Zhi Wang, Chao Lu, Marie Laury, Louis Lagardere, et al.. Tinker 8: Software Tools for Molecular Design. Journal of Chemical Theory and Computation, American Chemical Society, 2018, ⟨https://pubs.acs.org/doi/10.1021/acs.jctc.8b00529⟩. ⟨10.1021/acs.jctc.8b00529⟩. ⟨hal-01820747⟩



Record views