-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathresults.cuda.sw100.fl.dat
51 lines (51 loc) · 5.9 KB
/
results.cuda.sw100.fl.dat
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# 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 |107.77 @ -5.69 | 2.07 s | 0.00 s
1gkc | -12.18 kcal/mol | sw | 2500000 |! -11.65 @ 133.14 |132.32 @ -10.39 | 8.33 s | 0.00 s
1hnn | -9.31 kcal/mol | sw | 2500000 | -9.31 @ 56.77 | 41.28 @ -8.80 | 4.84 s | 0.00 s
1hwi | -14.68 kcal/mol | sw | 2500000 | -14.47 @ 39.81 | 34.57 @ -12.59 | 11.41 s | 0.00 s
1ig3 | -9.63 kcal/mol | sw | 2500000 | -9.61 @ 55.02 | 54.53 @ -9.48 | 6.75 s | 0.00 s
1jje | -13.01 kcal/mol | sw | 2500000 | -12.84 @ 65.54 | 64.01 @ -11.74 | 8.15 s | 0.00 s
1jla | -14.92 kcal/mol | sw | 2500000 | -14.90 @ 38.23 | 37.75 @ -12.94 | 10.26 s | 0.00 s
1jyq | -31.11 kcal/mol | sw | 2500000 |! -22.84 @ 59.46 | 48.69 @ -18.04 | 34.42 s | 0.00 s
1k3u | -15.07 kcal/mol | sw | 2500000 |! -14.54 @ 49.81 | 37.30 @ -9.18 | 7.82 s | 0.00 s
1kzk | -20.41 kcal/mol | sw | 2500000 | -20.22 @ 22.10 | 21.08 @ -13.09 | 18.86 s | 0.00 s
1l7f | -12.66 kcal/mol | sw | 2500000 | -12.64 @ 65.48 | 64.25 @ -10.22 | 8.86 s | 0.00 s
1lpz | -15.24 kcal/mol | sw | 2500000 |! -14.89 @ 32.07 | 23.33 @ -11.46 | 11.97 s | 0.00 s
1lrh | -7.53 kcal/mol | sw | 2500000 |> -7.58 @ 87.88 | 87.86 @ -7.56 | 3.89 s | 0.00 s
1m2z | -15.49 kcal/mol | sw | 2500000 | -15.49 @ 36.76 | 36.27 @ -15.00 | 7.22 s | 0.00 s
1mzc | -15.37 kcal/mol | sw | 2500000 | -15.32 @ 125.08 |125.04 @ -14.97 | 13.40 s | 0.00 s
1n46 | -15.07 kcal/mol | sw | 2500000 | -15.06 @ 15.19 | 14.25 @ -11.90 | 8.39 s | 0.00 s
1nav | -13.05 kcal/mol | sw | 2500000 | -13.00 @ 46.17 | 35.90 @ -10.09 | 7.62 s | 0.00 s
1of6 | -10.75 kcal/mol | sw | 2500000 | -10.74 @ 61.30 | 60.98 @ -10.71 | 5.70 s | 0.00 s
1opk | -14.82 kcal/mol | sw | 2500000 | -14.82 @ 57.24 | 46.68 @ -10.13 | 9.41 s | 0.00 s
1owe | -11.20 kcal/mol | sw | 2500000 | -11.19 @ 42.41 | 42.28 @ -10.30 | 6.72 s | 0.00 s
1p2y | -7.19 kcal/mol | sw | 2500000 | -7.19 @ 42.87 | 42.75 @ -7.16 | 3.44 s | 0.00 s
1p62 | -9.98 kcal/mol | sw | 2500000 |> -9.99 @ 75.63 | 74.23 @ -8.24 | 6.29 s | 0.00 s
1pmn | -14.27 kcal/mol | sw | 2500000 | -14.26 @ 43.49 | 43.37 @ -13.83 | 11.19 s | 0.00 s
1r55 | -13.05 kcal/mol | sw | 2500000 | -13.03 @ 32.66 | 31.84 @ -12.03 | 8.55 s | 0.00 s
1sq5 | -10.58 kcal/mol | sw | 2500000 | -10.48 @ 55.03 | 40.43 @ -9.82 | 6.59 s | 0.00 s
1t40 | -14.09 kcal/mol | sw | 2500000 | -13.97 @ 23.51 | 22.82 @ -11.67 | 9.46 s | 0.00 s
1t46 | -18.21 kcal/mol | sw | 2500000 | -18.21 @ 47.98 | 47.48 @ -17.81 | 14.48 s | 0.00 s
1v0p | -13.23 kcal/mol | sw | 2500000 | -13.12 @ 34.15 | 28.17 @ -11.44 | 12.18 s | 0.00 s
1y6b | -16.30 kcal/mol | sw | 2500000 | -16.16 @ 37.77 | 37.26 @ -13.20 | 15.56 s | 0.00 s
1yqy | -12.21 kcal/mol | sw | 2500000 | -11.94 @ 42.61 | 34.70 @ -11.01 | 8.16 s | 0.00 s
1yv3 | -12.65 kcal/mol | sw | 2500000 | -12.65 @ 56.36 | 55.18 @ -10.34 | 5.89 s | 0.00 s
1ywr | -15.18 kcal/mol | sw | 2500000 | -15.17 @ 26.09 | 24.91 @ -13.62 | 13.05 s | 0.00 s
2bm2 | -13.69 kcal/mol | sw | 2500000 |! -13.02 @ 142.58 |136.41 @ -11.35 | 10.44 s | 0.00 s
2brt | -9.32 kcal/mol | sw | 2500000 | -9.32 @ 35.21 | 34.96 @ -7.94 | 6.19 s | 0.52 s
2bsm | -12.09 kcal/mol | sw | 2500000 | -12.06 @ 42.17 | 42.08 @ -11.96 | 9.72 s | 0.00 s
2vaa | -34.70 kcal/mol | sw | 2500000 |! -25.27 @ 68.38 | 65.87 @ -22.88 | 59.80 s | 0.00 s
2wbg | -15.49 kcal/mol | sw | 2500000 | -15.35 @ 8.52 | 7.28 @ -11.95 | 10.20 s | 0.00 s
2xy9 | -26.65 kcal/mol | sw | 2500000 |! -19.78 @ 16.83 | 13.28 @ -17.88 | 32.56 s | 0.00 s
3drf | -27.26 kcal/mol | sw | 2500000 |! -22.55 @ 46.61 | 45.41 @ -19.97 | 37.47 s | 0.00 s
3er5 | -38.24 kcal/mol | sw | 2500000 |! -29.34 @ 35.18 | 32.88 @ -24.25 | 67.29 s | 0.00 s
5wlo | -20.45 kcal/mol | sw | 2500000 | -20.41 @ 29.43 | 28.98 @ -19.63 | 18.10 s | 0.00 s
7cpa | -22.38 kcal/mol | sw | 2500000 |! -19.62 @ 52.67 | 51.08 @ -14.54 | 18.51 s | 0.00 s
#------+------------------+--------+----------------+--------------------+--------------------+------------+------------
# stats: 42 105000000 32 / 42 good 581.24 s 0.52 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.