Desmond

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Desmond is a molecular dynamics package (MD).

Contents

Availability

Resource Centre Description
Akka HPC2N capability cluster resource of 54 TFLOPS with infiniband interconnect
Lindgren PDC Cray XE6 capability cluster with 305 TFLOPS peak performance

License

License: Free.

Code is available at no cost, but requires the users to register with D.E. Shaw before it can be downloaded.

Experts

No experts have currently registered expertise on this specific subject. List of registered field experts:
Field AE FTE General activities
Johan Raber (NSC) NSC Computational chemistry 5050
Michael Stenrup (UPPMAX) UPPMAX Computational chemistry 2525
Rossen Apostolov (PDC) PDC Molecular dynamics 100100
Torben Rasmussen (NSC) NSC Computational chemistry 100100 Application expert coordinator (25% FTE).
Installation and support of computational chemistry software.
Snicdocs editing and development.

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