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.
