Re: [SLE] Protein Folding source code

From: jim barnes (j10152_at_amigo.net)
Date: 05/05/04

  • Next message: Louis Richards: "Re: [SLE] please!! help me, completly lost!" 
    Date: Wed, 05 May 2004 07:34:37 -0600
To: "suse-linux-e@suse.com" <suse-linux-e@suse.com>

    >
    > 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%) 

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  • Next message: Louis Richards: "Re: [SLE] please!! help me, completly lost!"