--- /dev/null
+ # EVDW SC-SC EVDW2 SC-p EES p-p EBE bend ESC SCloc ETORS ETORSD ECORR4 ECORR5 ECORR6 EELLO ETURN3 ETURN4 ETURN6 UCONST EVDW2_14 EHPB ESTR EVDWPP ESCCOR
+ 0 0.00 30.343 -4.916 25.427 2.533 299.574 300.000 8.016 0 -29.230 12.846 -10.453 -16.349 53.553 8.667 -0.663 -8.169 0.000 0.000 10.993 4.828 7.196 0.000 0.000 0.000 -12.085 18.571 -20.048 0.000
+ 1 0.10 26.057 -0.308 25.748 0.957 257.260 300.000 8.013 0 -29.272 12.917 -10.463 -16.218 54.690 8.621 -0.654 -8.171 0.000 0.000 11.111 4.864 7.196 0.000 0.000 0.000 -11.964 22.678 -20.075 0.000
+ 2 0.20 27.787 -1.700 26.088 0.674 274.344 300.000 8.010 0 -29.231 12.934 -10.495 -16.083 56.013 8.554 -0.646 -8.191 0.000 0.000 11.216 4.876 7.199 0.000 0.000 0.000 -11.811 20.801 -20.115 0.000
+ 3 0.30 33.607 -7.671 25.936 1.168 331.807 300.000 8.006 0 -29.151 12.905 -10.550 -15.998 56.999 8.488 -0.643 -8.225 0.000 0.000 11.278 4.866 7.195 0.000 0.000 0.000 -11.627 14.520 -20.165 0.000
+ 4 0.40 37.530 -12.167 25.363 1.271 370.538 300.000 8.003 0 -29.094 12.866 -10.625 -15.928 57.373 8.444 -0.643 -8.272 0.000 0.000 11.282 4.846 7.178 0.000 0.000 0.000 -11.421 9.877 -20.222 0.000
+ 5 0.50 36.303 -11.533 24.771 1.658 358.422 300.000 7.999 0 -29.070 12.849 -10.713 -15.796 57.634 8.430 -0.642 -8.324 0.000 0.000 11.233 4.829 7.146 0.000 0.000 0.000 -11.204 10.271 -20.279 0.000
+ 6 0.60 32.033 -7.606 24.427 1.411 316.267 300.000 7.997 0 -29.042 12.864 -10.801 -15.558 58.458 8.445 -0.637 -8.373 0.000 0.000 11.156 4.826 7.105 0.000 0.000 0.000 -10.993 13.613 -20.326 0.000
+ 7 0.70 28.502 -4.136 24.367 1.204 281.403 300.000 7.995 0 -28.974 12.897 -10.870 -15.229 59.972 8.478 -0.629 -8.406 0.000 0.000 11.077 4.841 7.060 0.000 0.000 0.000 -10.806 16.138 -20.354 0.000
+ 8 0.80 27.325 -2.807 24.518 1.008 269.781 300.000 7.994 0 -28.873 12.923 -10.905 -14.865 61.776 8.514 -0.624 -8.416 0.000 0.000 11.021 4.869 7.015 0.000 0.000 0.000 -10.666 16.383 -20.352 0.000
+ 9 0.90 27.867 -3.120 24.747 1.012 275.136 300.000 7.995 0 -28.774 12.914 -10.897 -14.538 63.288 8.541 -0.625 -8.398 0.000 0.000 11.001 4.896 6.975 0.000 0.000 0.000 -10.595 15.177 -20.318 0.000
+ 10 1.00 28.790 -3.860 24.931 1.483 284.247 300.000 7.997 0 -28.704 12.855 -10.849 -14.320 63.981 8.550 -0.635 -8.355 0.000 0.000 11.018 4.909 6.945 0.000 0.000 0.000 -10.612 14.023 -20.254 0.000
+ 11 1.10 29.083 -3.991 25.092 1.325 287.142 300.000 7.999 0 -28.660 12.754 -10.779 -14.244 63.456 8.542 -0.650 -8.298 0.000 0.000 11.061 4.903 6.928 0.000 0.000 0.000 -10.717 14.069 -20.176 0.000
+ 12 1.20 28.864 -3.549 25.315 1.247 284.973 300.000 8.001 0 -28.630 12.641 -10.710 -14.288 61.504 8.522 -0.665 -8.244 0.000 0.000 11.118 4.881 6.924 0.000 0.000 0.000 -10.894 15.206 -20.102 0.000
+ 13 1.30 29.383 -3.837 25.546 1.002 290.098 300.000 8.002 0 -28.606 12.555 -10.667 -14.384 58.214 8.497 -0.669 -8.206 0.000 0.000 11.175 4.854 6.931 0.000 0.000 0.000 -11.111 15.921 -20.051 0.000
+ 14 1.40 31.510 -5.923 25.587 1.067 311.096 300.000 8.001 0 -28.600 12.522 -10.662 -14.457 53.997 8.473 -0.657 -8.195 0.000 0.000 11.227 4.833 6.945 0.000 0.000 0.000 -11.336 14.907 -20.037 0.000
+ 15 1.50 34.175 -8.862 25.313 0.905 337.410 300.000 7.999 0 -28.633 12.550 -10.701 -14.450 49.117 8.457 -0.625 -8.213 0.000 0.000 11.269 4.827 6.962 0.000 0.000 0.000 -11.544 12.975 -20.062 0.000
+ 16 1.60 34.926 -10.113 24.812 1.245 344.824 300.000 7.996 0 -28.705 12.627 -10.774 -14.335 43.658 8.449 -0.578 -8.256 0.000 0.000 11.299 4.836 6.978 0.000 0.000 0.000 -11.720 12.620 -20.121 0.000
+ 17 1.70 32.825 -8.318 24.507 2.097 324.086 300.000 7.992 0 -28.773 12.728 -10.867 -14.120 39.608 8.451 -0.526 -8.314 0.000 0.000 11.322 4.856 6.991 0.000 0.000 0.000 -11.867 14.875 -20.203 0.000
+ 18 1.80 30.268 -5.780 24.488 1.770 298.841 300.000 7.989 0 -28.821 12.819 -10.964 -13.877 37.817 8.462 -0.483 -8.376 0.000 0.000 11.345 4.879 7.000 0.000 0.000 0.000 -11.987 17.437 -20.293 0.000
+ 19 1.90 30.350 -5.838 24.512 1.419 299.646 300.000 7.988 0 -28.891 12.875 -11.051 -13.717 37.850 8.478 -0.457 -8.429 0.000 0.000 11.372 4.894 7.006 0.000 0.000 0.000 -12.086 17.284 -20.375 0.000
+ 20 2.00 33.025 -8.721 24.304 0.851 326.053 300.000 7.987 0 -28.992 12.883 -11.119 -13.722 38.858 8.495 -0.451 -8.467 0.000 0.000 11.408 4.892 7.008 0.000 0.000 0.000 -12.165 14.471 -20.439 0.000
+ 21 2.10 35.212 -11.371 23.841 3.135 347.652 300.000 7.988 0 -29.103 12.850 -11.164 -13.915 40.428 8.511 -0.461 -8.486 0.000 0.000 11.450 4.867 7.007 0.000 0.000 0.000 -12.223 12.112 -20.477 0.000
+ 22 2.20 34.382 -10.999 23.383 2.473 339.451 300.000 7.990 0 -29.214 12.792 -11.187 -14.292 42.763 8.525 -0.481 -8.487 0.000 0.000 11.499 4.823 7.005 0.000 0.000 0.000 -12.259 12.903 -20.489 0.000
+ 23 2.30 31.432 -8.201 23.232 1.769 310.331 300.000 7.991 0 -29.322 12.730 -11.193 -14.818 45.241 8.541 -0.505 -8.476 0.000 0.000 11.555 4.768 7.003 0.000 0.000 0.000 -12.276 16.247 -20.483 0.000
+ 24 2.40 29.520 -6.288 23.232 2.253 291.452 300.000 7.992 0 -29.416 12.685 -11.185 -15.383 45.824 8.555 -0.524 -8.460 0.000 0.000 11.618 4.714 7.004 0.000 0.000 0.000 -12.277 18.976 -20.469 0.000
+ 25 2.50 30.441 -7.165 23.276 2.077 300.546 300.000 7.992 0 -29.484 12.676 -11.171 -15.825 45.235 8.566 -0.533 -8.443 0.000 0.000 11.686 4.675 7.011 0.000 0.000 0.000 -12.266 18.821 -20.460 0.000
+ 26 2.60 33.318 -10.188 23.130 2.944 328.953 300.000 7.991 0 -29.534 12.719 -11.160 -16.029 43.779 8.569 -0.529 -8.435 0.000 0.000 11.757 4.660 7.025 0.000 0.000 0.000 -12.250 16.230 -20.471 0.000
+ 27 2.70 36.021 -13.289 22.732 1.710 355.635 300.000 7.989 0 -29.608 12.813 -11.161 -16.001 42.124 8.571 -0.519 -8.438 0.000 0.000 11.825 4.673 7.047 0.000 0.000 0.000 -12.231 13.237 -20.511 0.000
+ 28 2.80 37.010 -14.882 22.128 1.129 365.401 300.000 7.986 0 -29.753 12.936 -11.180 -15.830 40.846 8.581 -0.512 -8.457 0.000 0.000 11.879 4.708 7.072 0.000 0.000 0.000 -12.209 11.550 -20.581 0.000
+ 29 2.90 36.082 -14.566 21.516 1.269 356.235 300.000 7.983 0 -29.970 13.056 -11.217 -15.623 40.551 8.604 -0.516 -8.488 0.000 0.000 11.911 4.754 7.098 0.000 0.000 0.000 -12.182 11.665 -20.674 0.000
+ 30 3.00 34.347 -13.319 21.027 1.027 339.105 300.000 7.979 0 -30.213 13.149 -11.266 -15.469 41.802 8.638 -0.536 -8.529 0.000 0.000 11.925 4.795 7.127 0.000 0.000 0.000 -12.149 12.618 -20.778 0.000
+ 31 3.10 33.122 -12.478 20.645 1.818 327.017 300.000 7.974 0 -30.435 13.209 -11.321 -15.430 44.349 8.675 -0.570 -8.571 0.000 0.000 11.932 4.815 7.161 0.000 0.000 0.000 -12.109 13.155 -20.877 0.000
+ 32 3.20 32.549 -12.244 20.306 1.815 321.360 300.000 7.970 0 -30.611 13.250 -11.373 -15.512 46.243 8.705 -0.612 -8.609 0.000 0.000 11.954 4.806 7.203 0.000 0.000 0.000 -12.064 13.356 -20.960 0.000
+ 33 3.30 31.894 -11.812 20.081 1.558 314.886 300.000 7.966 0 -30.731 13.288 -11.416 -15.640 47.182 8.723 -0.651 -8.636 0.000 0.000 12.004 4.774 7.253 0.000 0.000 0.000 -12.018 13.925 -21.022 0.000
+ 34 3.40 31.001 -11.046 19.955 1.081 306.075 300.000 7.963 0 -30.811 13.340 -11.451 -15.698 47.892 8.729 -0.675 -8.653 0.000 0.000 12.084 4.729 7.304 0.000 0.000 0.000 -11.977 14.718 -21.066 0.000
+ 35 3.50 30.266 -10.348 19.918 0.865 298.814 300.000 7.962 0 -30.888 13.413 -11.480 -15.633 48.600 8.727 -0.680 -8.662 0.000 0.000 12.180 4.687 7.350 0.000 0.000 0.000 -11.944 15.248 -21.102 0.000
+ 36 3.60 30.168 -10.196 19.972 1.402 297.849 300.000 7.961 0 -30.992 13.502 -11.507 -15.490 49.528 8.723 -0.666 -8.670 0.000 0.000 12.268 4.656 7.381 0.000 0.000 0.000 -11.922 15.093 -21.137 0.000
+ 37 3.70 31.146 -11.179 19.967 0.885 307.507 300.000 7.962 0 -31.115 13.584 -11.533 -15.344 50.898 8.722 -0.646 -8.679 0.000 0.000 12.329 4.637 7.394 0.000 0.000 0.000 -11.909 13.754 -21.175 0.000
+ 38 3.80 32.648 -12.874 19.773 0.811 322.332 300.000 7.964 0 -31.223 13.634 -11.554 -15.241 52.600 8.729 -0.632 -8.691 0.000 0.000 12.353 4.623 7.390 0.000 0.000 0.000 -11.905 11.741 -21.214 0.000
+ 39 3.90 33.082 -13.615 19.467 1.070 326.620 300.000 7.966 0 -31.290 13.636 -11.568 -15.182 54.049 8.742 -0.636 -8.704 0.000 0.000 12.348 4.604 7.378 0.000 0.000 0.000 -11.905 10.823 -21.247 0.000
+ 40 4.00 31.608 -12.342 19.265 1.764 312.063 300.000 7.969 0 -31.319 13.598 -11.570 -15.161 54.714 8.757 -0.659 -8.715 0.000 0.000 12.335 4.577 7.372 0.000 0.000 0.000 -11.906 12.132 -21.266 0.000
+ 41 4.10 29.501 -10.197 19.304 1.892 291.267 300.000 7.970 0 -31.334 13.545 -11.564 -15.181 54.441 8.763 -0.690 -8.723 0.000 0.000 12.341 4.543 7.385 0.000 0.000 0.000 -11.907 14.533 -21.268 0.000
+ 42 4.20 28.992 -9.564 19.428 1.781 286.237 300.000 7.972 0 -31.355 13.502 -11.551 -15.255 53.303 8.754 -0.715 -8.726 0.000 0.000 12.379 4.509 7.427 0.000 0.000 0.000 -11.908 15.607 -21.256 0.000
+ 43 4.30 30.295 -10.897 19.398 0.997 299.103 300.000 7.972 0 -31.392 13.484 -11.540 -15.386 51.668 8.730 -0.721 -8.726 0.000 0.000 12.441 4.483 7.494 0.000 0.000 0.000 -11.910 14.807 -21.239 0.000
+ 44 4.40 31.038 -11.742 19.296 0.902 306.441 300.000 7.970 0 -31.449 13.493 -11.539 -15.563 50.263 8.695 -0.700 -8.728 0.000 0.000 12.504 4.469 7.574 0.000 0.000 0.000 -11.917 14.455 -21.228 0.000
+ 45 4.50 29.907 -10.529 19.378 1.555 295.276 300.000 7.968 0 -31.545 13.523 -11.555 -15.763 49.877 8.653 -0.657 -8.736 0.000 0.000 12.537 4.467 7.650 0.000 0.000 0.000 -11.929 16.033 -21.236 0.000
+ 46 4.60 29.001 -9.375 19.627 1.293 286.330 300.000 7.964 0 -31.705 13.555 -11.595 -15.947 51.283 8.609 -0.603 -8.756 0.000 0.000 12.523 4.471 7.705 0.000 0.000 0.000 -11.946 17.354 -21.268 0.000
+ 47 4.70 30.775 -11.076 19.699 2.365 303.845 300.000 7.959 0 -31.937 13.577 -11.659 -16.054 54.181 8.566 -0.556 -8.794 0.000 0.000 12.462 4.473 7.733 0.000 0.000 0.000 -11.967 15.668 -21.326 0.000
+ 48 4.80 33.896 -14.522 19.374 1.942 334.657 300.000 7.954 0 -32.220 13.591 -11.746 -15.995 57.038 8.525 -0.526 -8.849 0.000 0.000 12.374 4.470 7.737 0.000 0.000 0.000 -11.988 12.221 -21.409 0.000
+ 49 4.90 34.588 -15.637 18.951 1.616 341.487 300.000 7.950 0 -32.515 13.609 -11.851 -15.719 59.132 8.483 -0.512 -8.918 0.000 0.000 12.290 4.463 7.727 0.000 0.000 0.000 -12.009 11.051 -21.509 0.000
+ 50 5.00 32.227 -13.457 18.770 0.963 318.177 300.000 7.945 0 -32.773 13.645 -11.967 -15.289 60.122 8.437 -0.508 -8.997 0.000 0.000 12.245 4.460 7.720 0.000 0.000 0.000 -12.030 13.124 -21.615 0.000
+ 51 5.10 30.248 -11.479 18.769 1.298 298.643 300.000 7.941 0 -32.953 13.702 -12.082 -14.880 60.178 8.381 -0.505 -9.078 0.000 0.000 12.258 4.470 7.729 0.000 0.000 0.000 -12.055 15.013 -21.716 0.000
+ 52 5.20 31.068 -12.391 18.677 0.891 306.739 300.000 7.938 0 -33.034 13.765 -12.183 -14.671 59.743 8.316 -0.494 -9.150 0.000 0.000 12.332 4.492 7.759 0.000 0.000 0.000 -12.085 14.128 -21.801 0.000
+ 53 5.30 33.218 -14.776 18.442 1.083 327.960 300.000 7.934 0 -33.026 13.813 -12.258 -14.718 58.953 8.247 -0.474 -9.205 0.000 0.000 12.445 4.519 7.804 0.000 0.000 0.000 -12.118 11.970 -21.862 0.000
+ 54 5.40 34.387 -16.242 18.145 1.483 339.507 300.000 7.931 0 -32.972 13.825 -12.304 -14.954 57.831 8.179 -0.447 -9.239 0.000 0.000 12.562 4.534 7.852 0.000 0.000 0.000 -12.149 10.962 -21.900 0.000
+ 55 5.50 34.285 -16.517 17.768 1.550 338.498 300.000 7.928 0 -32.932 13.799 -12.325 -15.256 56.436 8.118 -0.421 -9.256 0.000 0.000 12.656 4.528 7.889 0.000 0.000 0.000 -12.175 11.348 -21.921 0.000
+ 56 5.60 33.394 -16.025 17.369 1.763 329.700 300.000 7.926 0 -32.921 13.753 -12.340 -15.488 54.911 8.067 -0.402 -9.265 0.000 0.000 12.718 4.497 7.911 0.000 0.000 0.000 -12.191 12.542 -21.944 0.000
+ 57 5.70 32.019 -14.887 17.132 1.422 316.126 300.000 7.923 0 -32.916 13.725 -12.373 -15.554 53.431 8.028 -0.393 -9.282 0.000 0.000 12.757 4.454 7.921 0.000 0.000 0.000 -12.193 14.194 -21.989 0.000
+ 58 5.80 31.179 -14.129 17.050 0.533 307.832 300.000 7.920 0 -32.932 13.757 -12.447 -15.440 52.094 7.998 -0.389 -9.322 0.000 0.000 12.792 4.414 7.934 0.000 0.000 0.000 -12.183 15.186 -22.074 0.000
+ 59 5.90 31.833 -14.907 16.926 0.681 314.290 300.000 7.916 0 -32.993 13.867 -12.578 -15.221 50.756 7.974 -0.383 -9.393 0.000 0.000 12.841 4.397 7.963 0.000 0.000 0.000 -12.164 14.444 -22.207 0.000
+ 60 6.00 33.189 -16.537 16.653 0.984 327.679 300.000 7.912 0 -33.060 14.050 -12.762 -15.047 48.884 7.949 -0.368 -9.495 0.000 0.000 12.913 4.407 8.018 0.000 0.000 0.000 -12.139 12.852 -22.381 0.000
+ 61 6.10 33.620 -17.256 16.364 1.540 331.929 300.000 7.907 0 -33.060 14.269 -12.977 -15.067 46.807 7.920 -0.343 -9.614 0.000 0.000 13.008 4.438 8.101 0.000 0.000 0.000 -12.111 12.239 -22.574 0.000
+ 62 6.20 33.242 -17.059 16.184 2.068 328.204 300.000 7.903 0 -32.986 14.463 -13.185 -15.279 45.316 7.884 -0.308 -9.730 0.000 0.000 13.111 4.470 8.200 0.000 0.000 0.000 -12.087 12.583 -22.757 0.000
+ 63 6.30 33.949 -18.013 15.936 1.004 335.176 300.000 7.898 0 -32.893 14.575 -13.345 -15.602 44.780 7.843 -0.273 -9.823 0.000 0.000 13.201 4.482 8.298 0.000 0.000 0.000 -12.069 11.863 -22.902 0.000
+ 64 6.40 35.873 -20.537 15.335 0.863 354.171 300.000 7.895 0 -32.823 14.576 -13.435 -16.015 45.400 7.801 -0.248 -9.883 0.000 0.000 13.265 4.458 8.373 0.000 0.000 0.000 -12.057 9.724 -22.998 0.000
+ 65 6.50 35.823 -21.220 14.603 1.395 353.682 300.000 7.891 0 -32.774 14.494 -13.461 -16.433 47.003 7.765 -0.237 -9.914 0.000 0.000 13.304 4.403 8.411 0.000 0.000 0.000 -12.044 9.464 -23.055 0.000
+ 66 6.60 32.014 -17.727 14.287 1.364 316.076 300.000 7.888 0 -32.728 14.396 -13.456 -16.715 48.602 7.739 -0.241 -9.932 0.000 0.000 13.334 4.338 8.416 0.000 0.000 0.000 -12.025 13.262 -23.097 0.000
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+ 68 6.80 27.725 -13.036 14.690 1.001 273.734 300.000 7.880 0 -32.649 14.399 -13.524 -16.838 50.387 7.724 -0.274 -10.008 0.000 0.000 13.437 4.268 8.393 0.000 0.000 0.000 -11.948 17.911 -23.255 0.000
+ 69 6.90 31.087 -16.427 14.660 0.710 306.918 300.000 7.874 0 -32.590 14.553 -13.659 -16.655 50.981 7.731 -0.294 -10.092 0.000 0.000 13.528 4.291 8.403 0.000 0.000 0.000 -11.895 13.944 -23.407 0.000
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+ 72 7.20 30.037 -15.916 14.121 1.599 296.552 300.000 7.857 0 -32.194 15.314 -14.348 -16.079 51.972 7.748 -0.319 -10.428 0.000 0.000 13.940 4.484 8.596 0.000 0.000 0.000 -11.781 11.967 -24.007 0.000
+ 73 7.30 28.333 -14.093 14.240 1.452 279.731 300.000 7.852 0 -32.121 15.503 -14.551 -16.130 53.039 7.747 -0.314 -10.512 0.000 0.000 14.083 4.526 8.684 0.000 0.000 0.000 -11.774 13.310 -24.173 0.000
+ 74 7.40 28.723 -14.395 14.328 0.891 283.581 300.000 7.847 0 -32.117 15.611 -14.696 -16.058 55.017 7.749 -0.306 -10.574 0.000 0.000 14.201 4.538 8.754 0.000 0.000 0.000 -11.779 12.475 -24.302 0.000
+ 75 7.50 29.487 -15.113 14.374 0.804 291.123 300.000 7.842 0 -32.117 15.655 -14.790 -15.823 57.603 7.757 -0.301 -10.626 0.000 0.000 14.286 4.526 8.790 0.000 0.000 0.000 -11.789 11.067 -24.407 0.000
+ 76 7.60 29.028 -14.504 14.524 1.365 286.598 300.000 7.838 0 -32.060 15.679 -14.857 -15.654 60.028 7.773 -0.299 -10.689 0.000 0.000 14.341 4.506 8.789 0.000 0.000 0.000 -11.808 11.072 -24.508 0.000
+ 77 7.70 28.194 -13.396 14.798 0.974 278.362 300.000 7.833 0 -32.002 15.724 -14.935 -15.752 61.400 7.793 -0.300 -10.778 0.000 0.000 14.371 4.491 8.760 0.000 0.000 0.000 -11.842 12.059 -24.624 0.000
+ 78 7.80 28.666 -13.670 14.996 1.319 283.018 300.000 7.828 0 -32.076 15.814 -15.051 -16.073 61.274 7.813 -0.302 -10.898 0.000 0.000 14.382 4.489 8.721 0.000 0.000 0.000 -11.901 12.330 -24.762 0.000
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projects / unres.git / blobdiff