DL POLY 3

DL POLY 3 is a package of subroutines, programs and data files, designed to facilitate molecular dynamics simulations of macromolecules, polymers, ionic systems, solutions and other molecular systems on a distributed memory parallel computer. The package was written to support the UK project CCP5 by Bill Smith and Tim Forester under grants from the Engineering and Physical Sciences Research Council and is the property of the Council for the Central Laboratory of the Research Councils. DL POLY 3 is a domain decomposition version, written by I.T. Todorov and W.Smith, and is designed for systems beyond the range of DL POLY 2 - up to 10,000,000 atoms (and beyond) and 1000 processors.