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Copy pathresults.cuda.sw.fl.dat
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results.cuda.sw.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 @ 107.84 |107.78 @ -5.70 | 0.36 s | 0.00 s
1gkc | -12.18 kcal/mol | sw | 2500000 |! -11.64 @ 132.53 |132.43 @ -10.04 | 1.02 s | 0.00 s
1hnn | -9.31 kcal/mol | sw | 2500000 | -9.24 @ 55.98 | 55.48 @ -9.17 | 0.72 s | 0.00 s
1hwi | -14.68 kcal/mol | sw | 2500000 |! -13.82 @ 39.94 | 34.48 @ -12.67 | 1.41 s | 0.00 s
1ig3 | -9.63 kcal/mol | sw | 2500000 | -9.56 @ 54.99 | 54.98 @ -9.46 | 0.93 s | 0.00 s
1jje | -13.01 kcal/mol | sw | 2500000 | -12.81 @ 65.36 | 64.61 @ -12.32 | 1.01 s | 0.00 s
1jla | -14.92 kcal/mol | sw | 2500000 | -14.85 @ 38.20 | 37.96 @ -12.62 | 1.24 s | 0.00 s
1jyq | -31.11 kcal/mol | sw | 2500000 |! -21.26 @ 60.76 | 54.33 @ -17.50 | 3.67 s | 0.00 s
1k3u | -15.07 kcal/mol | sw | 2500000 |! -12.00 @ 49.79 | 37.79 @ -9.63 | 1.00 s | 0.00 s
1kzk | -20.41 kcal/mol | sw | 2500000 |! -19.52 @ 22.17 | 21.60 @ -15.05 | 2.12 s | 0.00 s
1l7f | -12.66 kcal/mol | sw | 2500000 | -12.62 @ 65.48 | 64.80 @ -10.64 | 1.12 s | 0.00 s
1lpz | -15.24 kcal/mol | sw | 2500000 | -15.04 @ 32.35 | 23.54 @ -12.21 | 1.44 s | 0.00 s
1lrh | -7.53 kcal/mol | sw | 2500000 |> -7.57 @ 87.87 | 87.83 @ -7.55 | 0.62 s | 0.00 s
1m2z | -15.49 kcal/mol | sw | 2500000 |> -15.50 @ 36.76 | 36.45 @ -15.48 | 1.01 s | 0.00 s
1mzc | -15.37 kcal/mol | sw | 2500000 | -15.30 @ 125.11 |125.11 @ -15.30 | 1.60 s | 0.00 s
1n46 | -15.07 kcal/mol | sw | 2500000 | -14.97 @ 15.03 | 14.19 @ -10.68 | 1.07 s | 0.00 s
1nav | -13.05 kcal/mol | sw | 2500000 |! -12.63 @ 46.19 | 41.04 @ -11.51 | 1.01 s | 0.00 s
1of6 | -10.75 kcal/mol | sw | 2500000 | -10.68 @ 61.34 | 61.11 @ -10.32 | 0.78 s | 0.00 s
1opk | -14.82 kcal/mol | sw | 2500000 | -14.81 @ 57.22 | 56.90 @ -14.46 | 1.22 s | 0.00 s
1owe | -11.20 kcal/mol | sw | 2500000 | -11.18 @ 42.41 | 42.39 @ -11.05 | 0.92 s | 0.00 s
1p2y | -7.19 kcal/mol | sw | 2500000 | -7.18 @ 42.90 | 42.85 @ -7.18 | 0.56 s | 0.00 s
1p62 | -9.98 kcal/mol | sw | 2500000 | -9.96 @ 75.66 | 75.32 @ -9.71 | 0.83 s | 0.00 s
1pmn | -14.27 kcal/mol | sw | 2500000 | -14.17 @ 43.45 | 43.45 @ -14.17 | 1.33 s | 0.00 s
1r55 | -13.05 kcal/mol | sw | 2500000 |! -12.71 @ 32.84 | 32.01 @ -12.65 | 1.04 s | 0.00 s
1sq5 | -10.58 kcal/mol | sw | 2500000 |! -10.25 @ 52.04 | 40.57 @ -10.15 | 0.89 s | 0.00 s
1t40 | -14.09 kcal/mol | sw | 2500000 | -13.95 @ 23.50 | 23.25 @ -12.72 | 1.18 s | 0.00 s
1t46 | -18.21 kcal/mol | sw | 2500000 | -18.18 @ 47.82 | 47.82 @ -18.15 | 1.77 s | 0.00 s
1v0p | -13.23 kcal/mol | sw | 2500000 | -12.99 @ 35.39 | 28.08 @ -12.99 | 1.44 s | 0.00 s
1y6b | -16.30 kcal/mol | sw | 2500000 | -16.23 @ 37.72 | 37.40 @ -14.98 | 1.82 s | 0.00 s
1yqy | -12.21 kcal/mol | sw | 2500000 | -12.00 @ 42.68 | 36.23 @ -10.62 | 1.02 s | 0.00 s
1yv3 | -12.65 kcal/mol | sw | 2500000 | -12.65 @ 56.36 | 56.35 @ -12.64 | 0.78 s | 0.00 s
1ywr | -15.18 kcal/mol | sw | 2500000 | -15.18 @ 26.15 | 26.14 @ -15.08 | 1.56 s | 0.00 s
2bm2 | -13.69 kcal/mol | sw | 2500000 |! -12.98 @ 139.57 |139.55 @ -12.97 | 1.32 s | 0.00 s
2brt | -9.32 kcal/mol | sw | 2500000 | -9.31 @ 35.21 | 35.20 @ -9.29 | 0.82 s | 0.54 s
2bsm | -12.09 kcal/mol | sw | 2500000 | -12.02 @ 42.32 | 42.29 @ -12.00 | 1.18 s | 0.00 s
2vaa | -34.70 kcal/mol | sw | 2500000 |! -24.85 @ 70.64 | 68.77 @ -21.86 | 6.26 s | 0.00 s
2wbg | -15.49 kcal/mol | sw | 2500000 |! -14.62 @ 8.55 | 7.48 @ -14.25 | 1.33 s | 0.00 s
2xy9 | -26.65 kcal/mol | sw | 2500000 |! -19.57 @ 16.97 | 16.72 @ -17.44 | 3.51 s | 0.00 s
3drf | -27.26 kcal/mol | sw | 2500000 |! -19.75 @ 46.54 | 46.54 @ -19.75 | 4.16 s | 0.00 s
3er5 | -38.24 kcal/mol | sw | 2500000 |! -27.36 @ 32.73 | 32.73 @ -27.36 | 6.96 s | 0.00 s
5wlo | -20.45 kcal/mol | sw | 2500000 | -20.34 @ 29.39 | 29.05 @ -19.84 | 2.15 s | 0.00 s
7cpa | -22.38 kcal/mol | sw | 2500000 |! -19.13 @ 52.82 | 52.53 @ -16.14 | 2.11 s | 0.00 s
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# stats: 42 105000000 27 / 42 good 68.27 s 0.54 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.