Tinker, previously stylized as TINKER, is a suite of computer
software applications for
molecular dynamics simulation. The codes provide a complete and general set of tools for
molecular mechanics and
molecular dynamics, with some special features for
biomolecules. The core of the software is a modular set of callable routines which allow manipulating coordinates and evaluating potential energy and derivatives via straightforward means.
Tinker works on
Windows,
macOS,
Linux and
Unix. The source code is available free of charge to non-commercial users under a proprietary license. The code is written in portable
FORTRAN 77,
Fortran 95 or
CUDA with common extensions, and some
C.
The Tinker package is based on several related codes: (a)
the canonical Tinker, version 8, (b) the Tinker9 package as a direct extension of canonical Tinker to GPU systems, (c)
the Tinker-HP package for massively parallel MPI applications on hybrid
CPU and
GPU-based systems, (d) Tinker-FFE for visualization of Tinker calculations via a Java-based graphical interface, and (e)
the Tinker-OpenMM package for Tinker's use with
GPUs via an interface for the OpenMM software. All of the Tinker codes are available from the TinkerTools organization site on GitHub. Additional information is available from the TinkerTools community web site.
Programs are provided to perform many functions including:
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