_____ _____ _____ _ | | | |___ ___ ___ _| | | --| --| | | | . | _| -_| . | |_____|_____|_|_|_| _|_| |___|___| |_| No CUDA devices available, using CPU (1 thread(s)) Reweighted 11304 sequences with threshold 0.8 to Beff=6595.83 weight mean=0.583495, min=0.0126582, max=1 Will optimize 5051149 32-bit variables iter eval f(x) ā•‘xā•‘ ā•‘gā•‘ step 1 1 1.2677e+06 31232.7 2.1677686e+09 1.92e-05 2 1 1.24302e+06 31233.4 1.8181316e+09 1.29e-05 3 1 1.21821e+06 31235.4 1.4890194e+09 1.08e-05 4 1 1.19373e+06 31240.1 1.2154848e+09 1.05e-05 5 1 1.16921e+06 31248.8 1.0026618e+09 1.09e-05 6 1 1.14475e+06 31263.4 8.1995309e+08 1.18e-05 7 1 1.12038e+06 31285.5 6.6756557e+08 1.31e-05 8 1 1.09605e+06 31318.6 5.534521e+08 1.51e-05 9 1 1.0718e+06 31365.3 4.6442566e+08 1.74e-05 10 1 1.04765e+06 31430.7 3.9113904e+08 2e-05 11 1 1.02356e+06 31519.2 3.3372058e+08 2.32e-05 12 1 999542 31637.9 2.850752e+08 2.68e-05 13 1 975632 31795.3 2.433883e+08 3.13e-05 14 1 951958 32001.1 2.0724798e+08 3.7e-05 15 1 928547 32270 1.786656e+08 4.44e-05 16 1 905480 32622.9 1.5431062e+08 5.35e-05 17 1 882926 33082.9 1.3800283e+08 6.56e-05 18 1 861002 33669.5 1.2846463e+08 7.98e-05 19 1 840135 34496 1.2659323e+08 9.67e-05 20 1 821471 35720.1 1.7421459e+08 0.000117 21 2 812493 36729.2 1.6051157e+08 5.96e-05 22 2 807428 37445.6 1.178322e+08 4.2e-05 23 1 802415 38152.2 1.4443008e+08 5.38e-05 24 1 797214 38890.7 1.111181e+08 4.34e-05 25 1 792139 39620 1.2124454e+08 5.37e-05 26 1 787041 40375.4 1.0711223e+08 4.93e-05 27 1 782129 41143.9 1.0227878e+08 5.51e-05 28 1 777274 41979.2 1.0327449e+08 6.1e-05 29 1 773034 42879.5 1.1995855e+08 6.33e-05 30 2 770517 43463.3 81694208 3.46e-05 31 1 768266 43953.5 1.0422337e+08 4.33e-05 32 1 765661 44479.6 1.0217237e+08 3.68e-05 33 1 763252 44926.5 75987272 3.2e-05 34 1 760760 45369.4 96186912 4.42e-05 35 1 758188 45801.5 80600200 3.4e-05 36 1 755782 46193.4 74837416 3.8e-05 37 1 753252 46603.5 89408784 4.41e-05 38 1 750860 47001.4 62968384 3.62e-05 39 1 748741 47401.6 1.0093391e+08 5.45e-05 40 1 746756 47888.4 78997880 4.08e-05 41 2 745764 48165.4 64912440 3.06e-05 42 1 744774 48443.4 81110616 3.92e-05 Done with status code 0 - Success! Final fx = 743735.000000 xnorm = 95.5161 Output can be found in 1gmxA.ccmpred