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DL_POLY is a parallel molecular dynamics simulation package. DL_POLY 2.0 represents a considerable advance over the previous release. A great deal of extra functionality has been added. The most significant addition is a conceptual one: DL_POLY 2.0 now supports rigid molecular entities. The greatly extends the range of model systems the code will simulate. The appropriate dynamical integration routines to handle these rigid entities are also provided. In response to requests from biopolymer modellers, the range of electrostatic models has been extended, particularly to include charged (or neutral) groups and the reaction field model. Constant pressure algorithms and density dependent metal potentials are also included.

Current Version:   2.10

License Type:   Free for academic and non-commercial research use

Home Site:

Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   No

Targeted Platforms:

UNIX and UNIX cluster
Its serial version is known to work on Linux after some changes to the makefiles. Please contact Kenneth Geisshirt if you have questions.

Software/Hardware Requirements:

MPI or PVM for parallel users.

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