Vincent Voelz has put into production the latest series of GPU projects: 6600 to 6606. These projects each contain 1047 atoms, are worth 450 points, have a preferred deadline of 6 days, and a mandatory one of 9 days. Project 6606 is a bit different and is worht 550 points, while keeping the other characteristics of the series. The projects are distributed through a new server at 171.64.65.61, which is still using v4 of the server code.
The first benchmarks gives :
p6600-6605
- 4520 PPD on a GT 240 with shaders at 1700 MHz
- 4800 PPD on a 9800 GX2 core
p6606
- 5525 PPD on a GT 240 with shaders at 1700 MHz
- 5800 PPD on a 9800 GX2 core
These simulations involve the native and unfolded states of the protein CspTm (a protein consisting of 66 thermophilic icebreaker residues), whose denatured state has been studied experimentally using a single molecule, and the method of energy transfer by resonance (FRET - "Förster resonance energy transfer"), also known as energy transfer between fluorescent molecules. There is a Wikipedia page available in German, if you wish to learn more about Theodor Förster.
While FRET experiments have shown fast intramolecular rearrangement, other studies (notably Trp-Cys quenching studies) show very slow intrachain diffusivity. The dynamics of the chain in the unfolded state under native folding conditions is crucial to understanding how the chain can rearrange to find the folded state in a tractable manner. Vincent hopes to use this simulation to shed some light on what molecular relaxation experiments are measuring.
Updated 03/11/10 at 8:30am UTC:
550 points for projects 6606 was a mistake... each project in this series is worth 450 points per WU. All upcoming WUs from project 6606 will also be valued at 450 points each.
Some of you may have noticed the lack of points for these projects in the statistics; they are not lost and have only been delayed. This bug is now fixed and all WUs will be properly credited.
KaySL
On: 03/09/10
