adding gasteiger charges to peptide
sx:6  sy:6  sz:6  
cx:21.986  cy:-59.876  cz:92.813  
start thread 0<br>
start thread 1<br>
start thread 2<br>
start thread 3<br>
start thread 4<br>
start thread 5<br>
start thread 6<br>
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start thread 8<br>
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start thread 11<br>
one step finished!start thread 0<br>
start thread 1<br>
../lib/pdbqt/TCMML_pdbqtTCMML<a href="screenresult_blinddock.php?user=jiagao@ustc.edu.cn&time=20260204161435&rec=rrm3_p.pdb&lib=TCMML" target="_blank" class="alert-link text-primary"> View result</a>2026-02-09 16:40:00 88
('\xe5\xbc\x80\xe5\xa7\x8b\xe8\xbf\x90\xe8\xa1\x8c\xe5\x91\xbd\xe4\xbb\xa4\xef\xbc\x9a', 'perl ../program/Perlscript_Vina_multithread_blind.pl ../dock_file/jiagao@ustc.edu.cn/bd-screen/20260204162434/screen ../lib/pdbqt/fdaapp_new 100 null none 21.986 -59.876 92.813 6 6 6 rrm3_p.pdb jiagao@ustc.edu.cn 1> ../dock_file/jiagao@ustc.edu.cn/bd-screen/20260204162434/screen/log.txt 2>../dock_file/jiagao@ustc.edu.cn/bd-screen/20260204162434/screen/error.txt &')
php ../php/sendResult_bd.php ../dock_file/jiagao@ustc.edu.cn/bd-screen/20260204161435/screen rrm3_p.pdb jiagao@ustc.edu.cn TCMML2026-01-26 10:24:17
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2026-02-04 16:14:35

2026-02-04 16:14:35
update status in workRecord success
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