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Tinker is a comprehensive and versatile molecular modeling software package
designed for molecular mechanics and dynamics simulations, with specialized
capabilities for biopolymers. It provides a complete set of tools for
energy minimizations, geometry calculations, simulated annealing, and
molecular dynamics.
Tinker supports a wide array of force fields, including Amber, CHARMM,
OPLS, MMFF94, and advanced polarizable models like AMOEBA. It features
atomic multipole-based electrostatics with explicit dipole polarizability
and various continuum solvation treatments. The software offers efficient
truncated Newton optimization, normal mode vibrational analysis, and
free energy calculations. It also includes algorithms for conformational
searches, global optimization, and transition state location. Written in
Fortran 95, Tinker is a modular and extensible system, widely used in
computational chemistry and biophysics.
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