From SNIC Documentation
Desmond is a molecular dynamics package (MD).
|Akka||HPC2N||capability cluster resource of 54 TFLOPS with infiniband interconnect|
|Lindgren||PDC||Cray XE6 capability cluster with 305 TFLOPS peak performance|
Code is available at no cost, but requires the users to register with D.E. Shaw before it can be downloaded.
ExpertsNo 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|
|Pedro Ojeda-May (HPC2N)||HPC2N||Quantum Chemistry
|Training, HPC, Quantum Chemistry, Molecular dynamics, R, advanced support|
|Torben Rasmussen (NSC)||NSC||Computational chemistry||100100||Installation and support of computational chemistry software.|