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results.opencl_ad.dat
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#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# Name | reference energy | method | evaluations | best energy @ rmsd | best rmsd @ energy | runtime | idle time
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
1ac8 | -5.70 kcal/mol | ad | 2500000 | -5.70 @ 1.84 | 1.84 @ -5.70 | 0.50 s | 0.66 s
1gkc | -12.18 kcal/mol | ad | 2500000 |! -11.66 @ 1.87 | 1.86 @ -11.64 | 2.44 s | 0.92 s
1hnn | -9.31 kcal/mol | ad | 2500000 | -9.30 @ 1.30 | 1.30 @ -9.30 | 1.12 s | 1.38 s
1hwi | -14.68 kcal/mol | ad | 2500000 | -14.56 @ 0.87 | 0.79 @ -14.10 | 3.87 s | 1.24 s
1ig3 | -9.63 kcal/mol | ad | 2500000 | -9.62 @ 1.44 | 0.93 @ -9.60 | 1.49 s | 1.29 s
1jje | -13.01 kcal/mol | ad | 2500000 | -12.96 @ 2.01 | 0.99 @ -12.36 | 2.48 s | 0.90 s
1jla | -14.92 kcal/mol | ad | 2500000 | -14.90 @ 0.66 | 0.66 @ -14.90 | 2.97 s | 1.12 s
1jyq | -31.11 kcal/mol | ad | 2500000 |! -27.25 @ 4.06 | 2.84 @ -25.74 | 11.69 s | 1.13 s
1k3u | -15.07 kcal/mol | ad | 2500000 | -15.01 @ 0.26 | 0.16 @ -14.93 | 2.20 s | 1.11 s
1kzk | -20.41 kcal/mol | ad | 2500000 | -20.27 @ 0.79 | 0.79 @ -16.49 | 7.47 s | 1.28 s
1l7f | -12.66 kcal/mol | ad | 2500000 | -12.64 @ 0.59 | 0.57 @ -12.63 | 3.46 s | 1.01 s
1lpz | -15.24 kcal/mol | ad | 2500000 | -15.23 @ 0.48 | 0.48 @ -15.23 | 5.00 s | 1.16 s
1lrh | -7.53 kcal/mol | ad | 2500000 | -7.37 @ 1.79 | 1.78 @ -7.36 | 0.98 s | 0.74 s
1m2z | -15.49 kcal/mol | ad | 2500000 |> -15.50 @ 0.88 | 0.87 @ -15.48 | 2.14 s | 1.03 s
1mzc | -15.37 kcal/mol | ad | 2500000 | -15.35 @ 1.19 | 1.12 @ -15.18 | 5.36 s | 1.25 s
1n46 | -15.07 kcal/mol | ad | 2500000 | -15.06 @ 0.64 | 0.64 @ -15.06 | 3.01 s | 1.21 s
1nav | -13.05 kcal/mol | ad | 2500000 | -13.04 @ 0.64 | 0.58 @ -12.96 | 2.53 s | 1.19 s
1of6 | -10.75 kcal/mol | ad | 2500000 | -10.74 @ 0.53 | 0.49 @ -10.71 | 1.24 s | 1.15 s
1opk | -14.82 kcal/mol | ad | 2500000 | -14.80 @ 1.94 | 1.94 @ -14.80 | 3.32 s | 1.36 s
1owe | -11.20 kcal/mol | ad | 2500000 | -11.19 @ 1.57 | 1.56 @ -11.18 | 2.39 s | 1.12 s
1p2y | -7.19 kcal/mol | ad | 2500000 | -7.18 @ 3.51 | 3.51 @ -7.17 | 1.00 s | 0.99 s
1p62 | -9.98 kcal/mol | ad | 2500000 | -9.98 @ 0.98 | 0.71 @ -9.96 | 1.38 s | 1.28 s
1pmn | -14.27 kcal/mol | ad | 2500000 | -14.26 @ 0.88 | 0.62 @ -14.19 | 4.55 s | 1.25 s
1r55 | -13.05 kcal/mol | ad | 2500000 | -13.03 @ 1.92 | 1.27 @ -13.03 | 2.99 s | 0.93 s
1sq5 | -10.58 kcal/mol | ad | 2500000 | -10.49 @ 2.99 | 1.94 @ -10.29 | 1.35 s | 1.03 s
1t40 | -14.09 kcal/mol | ad | 2500000 | -14.07 @ 0.47 | 0.43 @ -13.95 | 3.16 s | 1.49 s
1t46 | -18.21 kcal/mol | ad | 2500000 | -18.21 @ 0.60 | 0.53 @ -18.18 | 6.68 s | 1.25 s
1v0p | -13.23 kcal/mol | ad | 2500000 | -13.14 @ 1.38 | 0.62 @ -12.99 | 3.90 s | 1.34 s
1y6b | -16.30 kcal/mol | ad | 2500000 | -16.27 @ 0.57 | 0.53 @ -16.21 | 5.11 s | 1.33 s
1yqy | -12.21 kcal/mol | ad | 2500000 | -12.13 @ 3.95 | 1.82 @ -11.60 | 2.33 s | 1.50 s
1yv3 | -12.65 kcal/mol | ad | 2500000 | -12.63 @ 0.48 | 0.47 @ -12.63 | 1.21 s | 1.27 s
1ywr | -15.18 kcal/mol | ad | 2500000 | -15.16 @ 0.67 | 0.66 @ -15.15 | 4.93 s | 1.37 s
2bm2 | -13.69 kcal/mol | ad | 2500000 |! -13.26 @ 4.74 | 0.52 @ -13.05 | 4.10 s | 1.23 s
2brt | -9.32 kcal/mol | ad | 2500000 | -9.32 @ 0.88 | 0.87 @ -9.32 | 1.43 s | 0.49 s
2bsm | -12.09 kcal/mol | ad | 2500000 | -12.08 @ 0.79 | 0.76 @ -12.04 | 3.62 s | 1.36 s
2vaa | -34.70 kcal/mol | ad | 2500000 |! -30.24 @ 4.51 | 3.09 @ -30.16 | 25.45 s | 0.75 s
2wbg | -15.49 kcal/mol | ad | 2500000 | -15.37 @ 1.65 | 1.54 @ -14.98 | 2.57 s | 1.14 s
2xy9 | -26.65 kcal/mol | ad | 2500000 |! -22.90 @ 5.63 | 3.26 @ -21.58 | 11.17 s | 1.46 s
3drf | -27.26 kcal/mol | ad | 2500000 |! -25.30 @ 6.51 | 5.86 @ -17.78 | 22.64 s | 0.56 s
3er5 | -38.24 kcal/mol | ad | 2500000 |! -36.35 @ 4.38 | 3.18 @ -34.29 | 53.69 s | 0.91 s
5wlo | -20.45 kcal/mol | ad | 2500000 | -20.41 @ 1.53 | 0.70 @ -19.84 | 7.86 s | 0.57 s
7cpa | -22.38 kcal/mol | ad | 2500000 |! -20.79 @ 3.20 | 2.47 @ -18.78 | 7.64 s | 0.74 s
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# stats: 42 105000000 34 / 42 good 244.42 s 46.48 s
#-----------------------------------------------------------------------------------------------------------------------
# best energies marked with ! are more than 2*0.15 kcal/mol apart from the respective reference energy.
# best energies marked with > are lower compared to the respective best energy.
# best energies marked with = were used as the respective reference energy in case it was missing.