Lowest accepted energy????

Author	Message
William Senn Send message Joined: 19 Dec 05 Posts: 1 Credit: 359,289 RAC: 0	Message 10477 - Posted: 5 Feb 2006, 13:51:23 UTC I just witnessed a lowest accepted enery of around -270 with an RMSD of around 8.5..... Unfortunately the program exited with a calculation error (0xC0000005)... Barcode_30_1elwA_299_3522_0 Did I witness something wonderfull or was it just a blip? William Senn ID: 10477 · Rating: 0 · rate: / Reply Quote

[DPC] Team ColdFusion~Osi Send message Joined: 17 Jan 06 Posts: 2 Credit: 60,452 RAC: 0	Message 10479 - Posted: 5 Feb 2006, 16:24:48 UTC - in response to Message 10477. I just witnessed a lowest accepted enery of around -270 with an RMSD of around 8.5..... Unfortunately the program exited with a calculation error (0xC0000005)... Barcode_30_1elwA_299_3522_0 Did I witness something wonderfull or was it just a blip? William Senn Got the same ID: 10479 · Rating: 0 · rate: / Reply Quote

David Baker Volunteer moderator Project administrator Project developer Project scientist Send message Joined: 17 Sep 05 Posts: 705 Credit: 559,847 RAC: 0	Message 10492 - Posted: 6 Feb 2006, 4:20:56 UTC Interesting--will let you know as soon as we have analyzed the data coming in for this protein. thanks for the tip. David ID: 10492 · Rating: 0 · rate: / Reply Quote

[DPC] Team ColdFusion~Osi Send message Joined: 17 Jan 06 Posts: 2 Credit: 60,452 RAC: 0	Message 10506 - Posted: 6 Feb 2006, 15:20:25 UTC - in response to Message 10479. I just witnessed a lowest accepted enery of around -270 with an RMSD of around 8.5..... Unfortunately the program exited with a calculation error (0xC0000005)... Barcode_30_1elwA_299_3522_0 Did I witness something wonderfull or was it just a blip? William Senn Got the same what i was trying to say, i got around the same energy of -270 in the BARCODE_30_1elwA serie ID: 10506 · Rating: 0 · rate: / Reply Quote

wizclone Send message Joined: 28 Nov 05 Posts: 4 Credit: 15,368,007 RAC: 0	Message 10628 - Posted: 10 Feb 2006, 15:12:32 UTC i am calculating BARCODE_30-1acf_299-24362 and now i have something like -270 and RMS of about 11.xx ID: 10628 · Rating: 0 · rate: / Reply Quote

David Baker Volunteer moderator Project administrator Project developer Project scientist Send message Joined: 17 Sep 05 Posts: 705 Credit: 559,847 RAC: 0	Message 10630 - Posted: 10 Feb 2006, 15:40:50 UTC - in response to Message 10628. i am calculating BARCODE_30-1acf_299-24362 and now i have something like -270 and RMS of about 11.xx I think this is normal behavior. We've been folding somewhat larger proteins in the last two weeks, and with more atoms interacting the energies can be lower than in the earlier set (the interaction energy between two atoms not too far apart is usually negative, and there are many more atom pairs in larger proteins). I hope you will see a run with still lower energy AND low rmsd! ID: 10630 · Rating: 0 · rate: / Reply Quote

Kevin Send message Joined: 15 Jan 06 Posts: 21 Credit: 109,496 RAC: 0	Message 10871 - Posted: 18 Feb 2006, 5:54:35 UTC I just saw an energy of -300 and an RMSD of 0.3. This is on BARCODE_30_1elwA_NATIVE_313_309. This is the lowest energy and RMSD I have seen of any of the units I have crunched. ID: 10871 · Rating: 0 · rate: / Reply Quote

Kevin Send message Joined: 15 Jan 06 Posts: 21 Credit: 109,496 RAC: 0	Message 10872 - Posted: 18 Feb 2006, 5:54:39 UTC I just saw an energy of -300 and an RMSD of 0.3. This is on BARCODE_30_1elwA_NATIVE_313_309. This is the lowest energy and RMSD I have seen of any of the units I have crunched. ID: 10872 · Rating: 0 · rate: / Reply Quote

Rhiju Volunteer moderator Send message Joined: 8 Jan 06 Posts: 223 Credit: 3,546 RAC: 0	Message 11165 - Posted: 22 Feb 2006, 0:11:36 UTC There's (unfortunately) a rather mundane explanation for the RMSD of 0.3. We need to do a few runs that "cheat" and start with the native fold -- it tells us what energies we're shooting for. That's what the "NATIVE" in "BARCODE_30_1elwA_NATIVE_313_309" refers to. But keep on the lookout for further conformations with small RMSD's! It wouldn't surprise me if the immense sampling made possible by BOINC gives us structures that good. ID: 11165 · Rating: 0 · rate: / Reply Quote

anders n Send message Joined: 19 Sep 05 Posts: 403 Credit: 537,991 RAC: 0	Message 15395 - Posted: 3 May 2006, 8:19:28 UTC Last modified: 3 May 2006, 8:47:20 UTC How low can the energi get? I have -502 on my screen. This wu https://boinc.bakerlab.org/rosetta/result.php?resultid=18900898 Anders n Edit now -517 ID: 15395 · Rating: 0 · rate: / Reply Quote