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DL_POLY

DL_POLY is a set of tools for performing classical MD simulations. More information can be found at the CCP5 Consortium website.

Documentation

The DL_POLY manual is available online.

Running

A DL_POLY job is submitted to the cluster queuing system using the dlpolysub command. For example:

> dlpolysub -np 8 -q parallel-medium.q test

This would submit a DL_POLY job to the parallel-medium.q queue using 8 processors and the input in the files test.CONTROL, test.CONFIG and test.FIELD. DL_POLY can run in serial or distributed memory form.

For more information on dlpolysub see the EaStCHEM Submission System User Guide.

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ComputationalChemistryActivity/SupportPages/SoftwareInfo/DLPOLY (last edited 2007-06-21 09:20:23 by AndrewTurner)