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The DL_POLY Molecular Dynamics Package

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DL POLY workshop

Date: Thursday 29th November 2007

Venue: VMD Room, CSED, STFC Daresbury Laboratory, Daresbury Warrington WA4 4AD, Cheshire

General Information

DL_POLY is a general purpose molecular dynamics simulation package continually developed at Daresbury Laboratory by W. Smith and I.T. Todorov under the auspices of EPSRC and NERC in support of CCP5. It can be used to simulate a wide variety of molecular systems including simple liquids, ionic liquids and solids, small polar and non-polar molecular systems, bio- and synthetic polymers, ionic polymers and glasses solutions, simple metals and alloys. (Molecular Simulation, 28 (2002), pp 385)

Molecular dynamics is a special technique of molecular modelling, which is now a common tool used by researchers in a wide range of scientific disciplines. DL_POLY is one of these especially targeting and supporting Chemistry, Physics and Biochemistry communities within the UK and worldwide. DL_POLY strengths lie within its:

Aims of the course

This workshop intends to provide the attendees with:

Limitations:

Schedule:

Registration will take place between 9:00 and 9:25 am on Thursday 29th November at the west end of the top floor in A block (Site Map). To enter the DL site you need to sign in and collect a badge from the porters lodge. Please ensure that you wear your badge at all times so that DL Staff will know that you are a delegate of this workshop.

Tea and coffee will be provided as well as cold lunch. Please note that cooked lunches are also available at the refectory and the bar on site at the attendees own expense.

Registration

Please use the standard registration form.

For any additional information please email the HPCx helpdesk.

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