Tinker is a computer software application for molecular dynamics simulation with a complete and general package for molecular mechanics and molecular dynamics, with some special features for biopolymers. The core of the package is a modular set of callable routines which allow manipulating coordinates and evaluating potential energy and derivatives via straightforward means.
The Tinker package is based on 3 codes: i) the canonical Tinker (version 8., Jay Ponder’s lab); ii) the Tinker-OpenMM package for Tinker’s use with GPus (Pengyu Ren’s lab) ; iii) the Tinker-HP package for massively parallel MPI applications on CPus and Xeon Phi (Piquemal’s research group)
Free download for academics on the Tinkertools github: https://github.com/TinkerTools
Our group is more specifically developing Tinker-HP, the massively parallel implementation of Tinker.
Details can be found on the Tinker-HP website: [LINK]