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Move microservice WAMP test from MDStudio/tests to package
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tests/wamp_test/files/adan_residue_deco/decompose_dataframe.ene
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tests/wamp_test/files/adan_residue_deco/params.pkl
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| 48,1,48.0,,96.0,-103.590286,-46.500286,-40.36697,-60.155556 | ||
| 49,1,49.0,,98.0,-89.84584,-55.821571,-57.088181,-47.141579 | ||
| 50,1,50.0,,100.0,-99.677406,-44.826313,-46.99987,-73.051826 |
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| @@ -0,0 +1,52 @@ | ||
| # FRAME Time Potential Kinetic_Energy Temperature ele vdw Ligand-Ligenv-ele Ligand-Ligenv-vdw | ||
| 0 0.0 -857813.2500 168569.437500 299.432037 -1.008826e+06 116569.768555 -58.060040 -98.610352 | ||
| 1 2.0 -858491.3750 167802.937500 298.070496 -1.009882e+06 117414.737305 -49.553234 -97.505058 | ||
| 2 4.0 -859519.5625 169395.343750 300.899078 -1.010542e+06 116709.563477 -52.097958 -88.772751 | ||
| 3 6.0 -859464.6250 168662.140625 299.596680 -1.010851e+06 117446.680664 -33.827477 -107.589661 | ||
| 4 8.0 -859621.8750 168401.171875 299.133179 -1.010458e+06 116755.074219 -54.994820 -105.098030 | ||
| 5 10.0 -857256.0625 169340.921875 300.802460 -1.010082e+06 117852.747070 -46.607338 -97.840820 | ||
| 6 12.0 -859769.8125 169733.250000 301.499359 -1.011605e+06 117386.708008 -52.041260 -81.632576 | ||
| 7 14.0 -859992.4375 167370.515625 297.302368 -1.011193e+06 117128.024414 -39.472641 -93.610916 | ||
| 8 16.0 -859227.0625 168172.015625 298.726105 -1.010410e+06 117050.200195 -39.651253 -102.500801 | ||
| 9 18.0 -859139.8750 169191.156250 300.536407 -1.010006e+06 116496.524414 -52.097130 -84.961700 | ||
| 10 20.0 -859548.1250 169121.031250 300.411865 -1.010932e+06 117060.718750 -47.539967 -98.610817 | ||
| 11 22.0 -858431.7500 169375.062500 300.863098 -1.009972e+06 116930.734375 -47.477085 -101.782196 | ||
| 12 24.0 -859962.3750 168730.687500 299.718506 -1.011345e+06 117106.438477 -39.273216 -109.545052 | ||
| 13 26.0 -858884.4375 169065.937500 300.314026 -1.010119e+06 116925.242188 -70.062210 -89.374481 | ||
| 14 28.0 -859234.8750 168087.156250 298.575409 -1.011731e+06 118254.328125 -43.768539 -101.205963 | ||
| 15 30.0 -860644.6875 168635.406250 299.549255 -1.012207e+06 117448.294922 -36.733795 -92.417397 | ||
| 16 32.0 -858143.8125 169900.187500 301.795898 -1.009632e+06 117319.494141 -47.088711 -83.662514 | ||
| 17 34.0 -859325.3750 168787.250000 299.818970 -1.010724e+06 117235.748047 -48.625401 -102.265121 | ||
| 18 36.0 -860386.5000 168463.265625 299.243439 -1.012637e+06 118313.799805 -39.520123 -105.187370 | ||
| 19 38.0 -858519.0625 169073.640625 300.327667 -1.011409e+06 118396.523438 -44.728432 -108.281036 | ||
| 20 40.0 -858884.9375 168940.906250 300.091858 -1.010359e+06 117246.549805 -48.019146 -94.072388 | ||
| 21 42.0 -859783.6250 169816.171875 301.646637 -1.010837e+06 116793.310547 -58.029224 -92.483406 | ||
| 22 44.0 -859110.3125 168658.859375 299.590881 -1.011263e+06 117678.067383 -43.693729 -98.988586 | ||
| 23 46.0 -859222.4375 168610.390625 299.504791 -1.010180e+06 116752.997070 -56.400799 -75.073418 | ||
| 24 48.0 -860761.6875 168643.515625 299.563629 -1.012824e+06 117655.695312 -38.233044 -104.808144 | ||
| 25 50.0 -860120.6250 169260.343750 300.659332 -1.010493e+06 116155.347656 -59.807514 -90.716141 | ||
| 26 52.0 -859818.0000 168631.390625 299.542114 -1.011799e+06 117595.135742 -39.060020 -98.344040 | ||
| 27 54.0 -859106.8750 168842.468750 299.917023 -1.012103e+06 118912.327148 -59.669418 -90.530380 | ||
| 28 56.0 -857451.0000 170016.390625 302.002289 -1.008573e+06 116512.894531 -40.747734 -90.029030 | ||
| 29 58.0 -857697.8750 170084.468750 302.123199 -1.009484e+06 117472.315430 -50.709732 -99.063187 | ||
| 30 60.0 -859968.1875 168166.750000 298.716736 -1.011401e+06 117422.549805 -49.933418 -107.307579 | ||
| 31 62.0 -858514.6875 169189.906250 300.534180 -1.010765e+06 117831.856445 -44.290981 -105.893219 | ||
| 32 64.0 -858706.3125 168925.406250 300.064392 -1.008364e+06 115520.047852 -42.564671 -93.812897 | ||
| 33 66.0 -859266.3125 169066.875000 300.315643 -1.009708e+06 116042.712891 -49.493366 -94.178314 | ||
| 34 68.0 -859739.5000 168381.312500 299.097870 -1.011565e+06 117725.965820 -49.467209 -98.864410 | ||
| 35 70.0 -858926.1250 168242.734375 298.851746 -1.009772e+06 116680.773438 -38.445099 -102.326370 | ||
| 36 72.0 -860361.2500 169122.640625 300.414703 -1.011121e+06 116483.726562 -48.467155 -95.218689 | ||
| 37 74.0 -859884.1250 168605.406250 299.495972 -1.009959e+06 115844.559570 -32.244862 -112.107040 | ||
| 38 76.0 -859669.0000 167817.375000 298.096161 -1.012640e+06 118741.942383 -32.811020 -105.453911 | ||
| 39 78.0 -859958.0625 168215.031250 298.802490 -1.011597e+06 117650.630859 -44.596565 -94.294472 | ||
| 40 80.0 -859801.7500 169409.546875 300.924377 -1.011907e+06 117761.841797 -45.147449 -106.609131 | ||
| 41 82.0 -858330.7500 168542.937500 299.384979 -1.010081e+06 117349.820312 -63.133160 -66.278366 | ||
| 42 84.0 -859306.1250 168738.843750 299.732941 -1.009876e+06 116339.889648 -50.695343 -83.822777 | ||
| 43 86.0 -860946.5625 167573.906250 297.663666 -1.011634e+06 116824.378906 -40.919292 -101.283569 | ||
| 44 88.0 -859238.6875 168878.218750 299.980530 -1.009173e+06 115833.785156 -51.067490 -92.017464 | ||
| 45 90.0 -857656.6875 168954.703125 300.116425 -1.008775e+06 116423.490234 -48.658821 -101.914978 | ||
| 46 92.0 -860122.6250 167024.312500 296.687439 -1.011795e+06 117519.904297 -52.544598 -86.359818 | ||
| 47 94.0 -858823.1250 168674.625000 299.618927 -1.009997e+06 116551.070312 -33.515202 -97.477859 | ||
| 48 96.0 -860686.6875 169054.750000 300.294098 -1.013750e+06 118493.169922 -46.500286 -103.590286 | ||
| 49 98.0 -857741.5625 169837.656250 301.684753 -1.008910e+06 116625.672852 -55.821571 -89.845840 | ||
| 50 100.0 -859455.7500 169443.453125 300.984558 -1.010954e+06 117082.659180 -44.826313 -99.677406 |
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