Softwares | piquemalresearch.com | Multiscale Quantum Chemistry and High Performance Computing

Tinker-HP, the massively parallel version of Tinker

5 years ago 4 months agoJean-Philip PiquemalSoftwaresTinker-HP

Tinker-HP is a massively MPI parallel package (multi-CPUs & multi-GPUs) dedicated to classical molecular dynamics (MD) and to multiscale simulations, using advanced polarizable force fields (PFF) encompassing distributed multipoles electrostatics,...

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Tinker

5 years ago 5 years agocharlesSoftwares

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...

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