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Copy pathresults.cuda.sw.dat
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results.cuda.sw.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 @ 1.84 | 0.26 @ -5.68 | 0.37 s | 0.66 s
1gkc | -12.18 kcal/mol | sw | 2500000 |! -11.49 @ 1.91 | 1.29 @ -10.62 | 1.02 s | 0.78 s
1hnn | -9.31 kcal/mol | sw | 2500000 | -9.29 @ 1.32 | 1.29 @ -9.25 | 0.70 s | 1.17 s
1hwi | -14.68 kcal/mol | sw | 2500000 |! -13.99 @ 1.17 | 1.17 @ -13.99 | 1.39 s | 1.06 s
1ig3 | -9.63 kcal/mol | sw | 2500000 | -9.53 @ 1.47 | 1.12 @ -9.41 | 0.91 s | 1.27 s
1jje | -13.01 kcal/mol | sw | 2500000 | -12.93 @ 2.08 | 1.10 @ -12.33 | 1.01 s | 0.91 s
1jla | -14.92 kcal/mol | sw | 2500000 | -14.84 @ 0.81 | 0.62 @ -14.83 | 1.22 s | 0.94 s
1jyq | -31.11 kcal/mol | sw | 2500000 |! -22.33 @ 3.18 | 3.13 @ -20.04 | 3.69 s | 1.05 s
1k3u | -15.07 kcal/mol | sw | 2500000 |! -12.34 @ 1.16 | 1.16 @ -12.34 | 1.00 s | 1.13 s
1kzk | -20.41 kcal/mol | sw | 2500000 |! -19.24 @ 1.36 | 1.36 @ -19.24 | 2.13 s | 1.22 s
1l7f | -12.66 kcal/mol | sw | 2500000 | -12.60 @ 0.58 | 0.55 @ -12.59 | 1.10 s | 0.99 s
1lpz | -15.24 kcal/mol | sw | 2500000 | -14.95 @ 0.74 | 0.74 @ -14.95 | 1.43 s | 1.14 s
1lrh | -7.53 kcal/mol | sw | 2500000 |> -7.58 @ 14.67 | 1.74 @ -7.15 | 0.60 s | 0.90 s
1m2z | -15.49 kcal/mol | sw | 2500000 | -15.48 @ 0.86 | 0.67 @ -15.01 | 1.00 s | 1.00 s
1mzc | -15.37 kcal/mol | sw | 2500000 | -15.28 @ 1.22 | 1.22 @ -15.28 | 1.58 s | 1.24 s
1n46 | -15.07 kcal/mol | sw | 2500000 | -15.01 @ 0.68 | 0.33 @ -8.61 | 1.07 s | 1.23 s
1nav | -13.05 kcal/mol | sw | 2500000 | -12.88 @ 0.59 | 0.44 @ -12.67 | 0.99 s | 1.15 s
1of6 | -10.75 kcal/mol | sw | 2500000 | -10.71 @ 0.50 | 0.50 @ -10.71 | 0.76 s | 1.10 s
1opk | -14.82 kcal/mol | sw | 2500000 | -14.81 @ 1.93 | 0.77 @ -14.47 | 1.21 s | 1.18 s
1owe | -11.20 kcal/mol | sw | 2500000 | -11.19 @ 1.78 | 1.42 @ -11.02 | 0.90 s | 1.09 s
1p2y | -7.19 kcal/mol | sw | 2500000 | -7.18 @ 3.51 | 3.51 @ -7.18 | 0.55 s | 1.14 s
1p62 | -9.98 kcal/mol | sw | 2500000 | -9.97 @ 0.96 | 0.66 @ -9.84 | 0.85 s | 1.17 s
1pmn | -14.27 kcal/mol | sw | 2500000 | -14.26 @ 0.91 | 0.53 @ -14.08 | 1.34 s | 1.06 s
1r55 | -13.05 kcal/mol | sw | 2500000 |! -12.74 @ 1.77 | 1.76 @ -12.47 | 1.05 s | 0.90 s
1sq5 | -10.58 kcal/mol | sw | 2500000 |! -10.05 @ 10.89 | 1.92 @ -10.00 | 0.89 s | 1.00 s
1t40 | -14.09 kcal/mol | sw | 2500000 | -13.94 @ 0.49 | 0.49 @ -13.94 | 1.16 s | 1.39 s
1t46 | -18.21 kcal/mol | sw | 2500000 | -18.20 @ 0.58 | 0.44 @ -18.09 | 1.76 s | 1.27 s
1v0p | -13.23 kcal/mol | sw | 2500000 |! -12.82 @ 0.76 | 0.63 @ -12.75 | 1.42 s | 1.32 s
1y6b | -16.30 kcal/mol | sw | 2500000 | -16.09 @ 0.55 | 0.55 @ -16.09 | 1.80 s | 1.29 s
1yqy | -12.21 kcal/mol | sw | 2500000 |! -11.75 @ 4.14 | 1.54 @ -10.13 | 1.03 s | 1.46 s
1yv3 | -12.65 kcal/mol | sw | 2500000 | -12.65 @ 0.49 | 0.37 @ -12.62 | 0.77 s | 1.24 s
1ywr | -15.18 kcal/mol | sw | 2500000 | -15.16 @ 0.66 | 0.56 @ -14.84 | 1.53 s | 1.32 s
2bm2 | -13.69 kcal/mol | sw | 2500000 |! -12.78 @ 2.13 | 1.63 @ -12.54 | 1.29 s | 1.20 s
2brt | -9.32 kcal/mol | sw | 2500000 | -9.31 @ 0.89 | 0.84 @ -9.26 | 0.81 s | 0.44 s
2bsm | -12.09 kcal/mol | sw | 2500000 | -12.00 @ 0.77 | 0.76 @ -11.98 | 1.17 s | 1.16 s
2vaa | -34.70 kcal/mol | sw | 2500000 |! -23.56 @ 4.51 | 4.10 @ -21.44 | 6.31 s | 0.73 s
2wbg | -15.49 kcal/mol | sw | 2500000 |! -14.84 @ 1.70 | 1.59 @ -14.53 | 1.33 s | 1.20 s
2xy9 | -26.65 kcal/mol | sw | 2500000 |! -19.52 @ 4.40 | 3.27 @ -18.89 | 3.53 s | 1.39 s
3drf | -27.26 kcal/mol | sw | 2500000 |! -18.53 @ 7.35 | 5.88 @ -17.68 | 4.15 s | 0.52 s
3er5 | -38.24 kcal/mol | sw | 2500000 |! -29.48 @ 3.94 | 3.94 @ -29.48 | 7.04 s | 0.89 s
5wlo | -20.45 kcal/mol | sw | 2500000 |! -19.30 @ 0.88 | 0.88 @ -17.98 | 2.13 s | 0.55 s
7cpa | -22.38 kcal/mol | sw | 2500000 |! -17.40 @ 3.35 | 3.25 @ -14.47 | 2.10 s | 0.72 s
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# stats: 42 105000000 25 / 42 good 68.06 s 44.59 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.