Mailinglist Archive: opensuse (4547 mails)

< Previous Next >
Re: [SLE] Protein Folding source code
  • From: jim barnes <j10152@xxxxxxxxx>
  • Date: Wed, 05 May 2004 07:34:37 -0600
  • Message-id: <4098ED6D.4090107@xxxxxxxxx>

That GROMACS looks very nice (thanks Luca!) and I'll give it a try. Althought I'm not pretty sure whether this performs the same actions as http://www.stanford.edu/group/pandegroup/folding/ -- BTW, that's what I meant with "protein folding".


Folding@home uses the Gromacs core. Snip from log file:

[04:03:05] + Processing work unit
[04:03:05] Core required: FahCore_78.exe
[04:03:05] Core found.
[04:03:05] Working on Unit 09 [May 5 04:03:05]
[04:03:05] + Working ...
[04:03:05]
[04:03:05] *------------------------------*
[04:03:05] Folding@home Gromacs Core
[04:03:05] Version 1.62 (April 2, 2004)
[04:03:05]
[04:03:05] Preparing to commence simulation
[04:03:05] - Assembly optimizations manually forced on.
[04:03:05] - Not checking prior termination.
[04:03:05] - Expanded 197783 -> 955477 (decompressed 483.0 percent)
[04:03:05] - Starting from initial work packet
[04:03:05]
[04:03:05] Project: 1042 (Run 5, Clone 66, Gen 2)
[04:03:05]
[04:03:05] Assembly optimizations on if available.
[04:03:05] Entering M.D.
[04:03:11] Protein: p1042_nat96_273
[04:03:11]
[04:03:11] Writing local files
[04:03:11] Extra SSE boost OK.
[04:03:11] Writing local files
[04:03:11] Completed 0 out of 2500000 steps (0%)
[04:13:26] Writing local files
[04:13:26] Completed 25000 out of 2500000 steps (1%)

< Previous Next >