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±¾ÈË×öÍêGridºó£¬¿ªÊ¼×ödockʱ³öÏÖÒÔÏÂÎÊÌ⣬Çë¸ßÊÖ°ïæ£¬Ð»Ð»£¡ DPF> ga_run 10 # do this many hybrid GA-LS runs Number of requested LGA dockings = 10 runs BEGINNING LAMARCKIAN GENETIC ALGORITHM DOCKING Run: 1 / 10 Date: Wed Sep 30 15:09:43 2009 Output level is set to 1. Creating an initial population of 150 individuals. Assigning a random translation, a random orientation and 10 random torsions to each of the 150 individuals. Beginning Lamarckian Genetic Algorithm (LGA), with a maximum of 2500000 energy evaluations. Generation: 100 Oldest's energy: -9.042 Lowest energy: -9.042 Num.evals.: 117704 Timing: Real= 0.03s, CPU= 0.03s, System= 0.00s Generation: 200 Oldest's energy: -9.048 Lowest energy: -9.048 Num.evals.: 228286 Timing: Real= 0.03s, CPU= 0.03s, System= 0.00s Generation: 300 Oldest's energy: -9.229 Lowest energy: -9.229 Num.evals.: 347286 Timing: Real= 0.03s, CPU= 0.03s, System= 0.00s Generation: 400 Oldest's energy: -9.348 Lowest energy: -9.348 Num.evals.: 461813 Timing: Real= 0.03s, CPU= 0.03s, System= 0.00s Generation: 500 Oldest's energy: -2240384.514 Lowest energy: -2240384.514 Num.evals.: 580399 Timing: Real= 0.02s, CPU= 0.02s, System= 0.00s Generation: 600 Oldest's energy: -3613284.565 Lowest energy: -3613284.565 Num.evals.: 663083 Timing: Real= 0.03s, CPU= 0.03s, System= 0.00s Generation: 700 Oldest's energy: -3650508.687 Lowest energy: -3650508.687 Num.evals.: 737922 Timing: Real= 0.03s, CPU= 0.03s, System= 0.00s Generation: 800 Oldest's energy: -3660401.812 Lowest energy: -3660401.812 Num.evals.: 817565 Timing: Real= 0.02s, CPU= 0.02s, System= 0.00s eval.cc: ERROR! energy is infinite! [ Last edited by lei0736 on 2009-11-24 at 21:23 ] |
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tjegg
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9Â¥2009-10-02 00:26:23
gwdavid
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yjcmwgk(½ð±Ò+2,VIP+0): 10-1 11:17
yjcmwgk(½ð±Ò+10,VIP+0):JackskyË͸øÄãµÄ½ð±Ò 10-1 11:19
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2Â¥2009-09-30 23:07:33
Jacksky
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3Â¥2009-10-01 07:55:20
tjegg
Ìú¸Ëľ³æ (ÖøÃûдÊÖ)
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--deleted-- [ Last edited by yjcmwgk on 2009-10-1 at 19:41 ] |

4Â¥2009-10-01 09:04:44













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