Technical Report HPCxTR0509
"On the performance of molecular dynamics applications on current high-end systems", Joachim Hein, Fiona Reid, Lorna Smith, Ian Bush, Martyn Guest and Paul Sherwood.

This paper was published in the August 2005 issue of Philosophical Transactions of the Royal Society of London Series A; Theme Issue on Scientific Grid Computing. Full details of the issue can be found here

The paper is available for download as a PDF.