Solvability of the theory of integers with addition, order, and multiplication by an arbitrary number

A multiple time step algorithm compatibl

A multiple time step algorithm compatible with a large number of distance classes and an arbitrary distance dependence of the time step size for the fast evaluation of nonbonded interactions in molecular simulations

✍ Vincent Kräutler; Philippe H. Hünenberger 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 224 KB

## Abstract A new algorithm is introduced to perform the multiple time step integration of the equations of motion for a molecular system, based on the splitting of the nonbonded interactions into a series of distance classes. The interactions between particle pairs in successive classes are update