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Copy pathresults.opencl.sw100.fl.dat
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results.opencl.sw100.fl.dat
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#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# Name | reference energy | method | evaluations | best energy @ rmsd | best rmsd @ energy | runtime | idle time
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
1ac8 | -5.70 kcal/mol | sw | 2500000 | -5.70 @ 107.83 |107.77 @ -5.69 | 1.28 s | 0.00 s
1gkc | -12.18 kcal/mol | sw | 2500000 |! -11.81 @ 134.76 |130.95 @ -10.15 | 3.41 s | 0.00 s
1hnn | -9.31 kcal/mol | sw | 2500000 | -9.31 @ 56.80 | 41.28 @ -8.80 | 2.53 s | 0.00 s
1hwi | -14.68 kcal/mol | sw | 2500000 |! -14.28 @ 39.78 | 34.32 @ -12.04 | 4.85 s | 0.00 s
1ig3 | -9.63 kcal/mol | sw | 2500000 | -9.62 @ 55.02 | 54.43 @ -8.35 | 3.23 s | 0.00 s
1jje | -13.01 kcal/mol | sw | 2500000 | -12.85 @ 65.47 | 62.46 @ -10.38 | 3.49 s | 0.00 s
1jla | -14.92 kcal/mol | sw | 2500000 | -14.91 @ 38.29 | 37.81 @ -14.43 | 4.05 s | 0.00 s
1jyq | -31.11 kcal/mol | sw | 2500000 |! -25.47 @ 59.34 | 56.60 @ -18.37 | 10.06 s | 0.00 s
1k3u | -15.07 kcal/mol | sw | 2500000 | -14.83 @ 49.93 | 37.57 @ -9.31 | 3.32 s | 0.00 s
1kzk | -20.41 kcal/mol | sw | 2500000 |! -20.11 @ 22.10 | 19.57 @ -13.09 | 6.69 s | 0.00 s
1l7f | -12.66 kcal/mol | sw | 2500000 | -12.62 @ 65.48 | 64.86 @ -12.22 | 4.07 s | 0.00 s
1lpz | -15.24 kcal/mol | sw | 2500000 | -15.21 @ 32.43 | 23.48 @ -12.26 | 5.05 s | 0.00 s
1lrh | -7.53 kcal/mol | sw | 2500000 |> -7.57 @ 87.87 | 87.77 @ -7.43 | 2.15 s | 0.00 s
1m2z | -15.49 kcal/mol | sw | 2500000 | -15.49 @ 36.76 | 36.28 @ -15.01 | 3.68 s | 0.00 s
1mzc | -15.37 kcal/mol | sw | 2500000 | -15.35 @ 125.09 |124.93 @ -13.04 | 5.21 s | 0.00 s
1n46 | -15.07 kcal/mol | sw | 2500000 | -15.06 @ 15.19 | 8.63 @ -8.92 | 3.78 s | 0.00 s
1nav | -13.05 kcal/mol | sw | 2500000 | -12.98 @ 46.14 | 33.82 @ -7.82 | 3.45 s | 0.00 s
1of6 | -10.75 kcal/mol | sw | 2500000 | -10.74 @ 61.34 | 61.02 @ -10.41 | 2.53 s | 0.00 s
1opk | -14.82 kcal/mol | sw | 2500000 | -14.82 @ 57.22 | 46.40 @ -10.58 | 4.14 s | 0.00 s
1owe | -11.20 kcal/mol | sw | 2500000 | -11.19 @ 42.39 | 42.28 @ -10.26 | 3.39 s | 0.00 s
1p2y | -7.19 kcal/mol | sw | 2500000 | -7.19 @ 42.88 | 42.79 @ -6.98 | 1.91 s | 0.00 s
1p62 | -9.98 kcal/mol | sw | 2500000 | -9.98 @ 75.62 | 74.24 @ -8.24 | 2.90 s | 0.00 s
1pmn | -14.27 kcal/mol | sw | 2500000 | -14.26 @ 43.48 | 43.37 @ -14.00 | 4.56 s | 0.00 s
1r55 | -13.05 kcal/mol | sw | 2500000 | -12.86 @ 33.26 | 30.01 @ -11.07 | 3.75 s | 0.00 s
1sq5 | -10.58 kcal/mol | sw | 2500000 | -10.30 @ 49.65 | 40.47 @ -10.10 | 2.98 s | 0.00 s
1t40 | -14.09 kcal/mol | sw | 2500000 | -14.06 @ 23.47 | 23.09 @ -11.44 | 4.03 s | 0.00 s
1t46 | -18.21 kcal/mol | sw | 2500000 | -18.21 @ 47.99 | 47.63 @ -16.63 | 5.90 s | 0.00 s
1v0p | -13.23 kcal/mol | sw | 2500000 | -13.00 @ 35.38 | 28.05 @ -11.60 | 4.49 s | 0.00 s
1y6b | -16.30 kcal/mol | sw | 2500000 | -16.16 @ 37.75 | 37.19 @ -13.71 | 5.52 s | 0.00 s
1yqy | -12.21 kcal/mol | sw | 2500000 | -12.03 @ 42.68 | 34.75 @ -10.91 | 3.26 s | 0.00 s
1yv3 | -12.65 kcal/mol | sw | 2500000 | -12.65 @ 56.36 | 54.79 @ -9.94 | 2.54 s | 0.00 s
1ywr | -15.18 kcal/mol | sw | 2500000 | -15.17 @ 26.12 | 24.14 @ -15.12 | 5.10 s | 0.00 s
2bm2 | -13.69 kcal/mol | sw | 2500000 | -13.48 @ 142.36 |134.92 @ -11.17 | 4.76 s | 0.00 s
2brt | -9.32 kcal/mol | sw | 2500000 | -9.32 @ 35.20 | 35.04 @ -7.96 | 2.75 s | 0.46 s
2bsm | -12.09 kcal/mol | sw | 2500000 | -12.07 @ 42.17 | 42.09 @ -11.98 | 3.97 s | 0.00 s
2vaa | -34.70 kcal/mol | sw | 2500000 |! -25.36 @ 70.58 | 67.05 @ -24.99 | 18.86 s | 0.00 s
2wbg | -15.49 kcal/mol | sw | 2500000 |! -15.01 @ 8.53 | 7.02 @ -12.09 | 4.26 s | 0.00 s
2xy9 | -26.65 kcal/mol | sw | 2500000 |! -20.49 @ 15.88 | 13.06 @ -18.83 | 9.04 s | 0.00 s
3drf | -27.26 kcal/mol | sw | 2500000 |! -24.91 @ 46.68 | 45.95 @ -21.11 | 11.34 s | 0.00 s
3er5 | -38.24 kcal/mol | sw | 2500000 |! -30.22 @ 39.31 | 32.96 @ -24.34 | 25.95 s | 0.00 s
5wlo | -20.45 kcal/mol | sw | 2500000 |! -20.10 @ 29.04 | 28.92 @ -16.75 | 6.23 s | 0.00 s
7cpa | -22.38 kcal/mol | sw | 2500000 |! -19.29 @ 53.24 | 51.68 @ -18.19 | 6.54 s | 0.00 s
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# stats: 42 105000000 31 / 42 good 221.02 s 0.46 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.