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Commit 15197a4b authored by Massimiliano Bonomi's avatar Massimiliano Bonomi
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add serial regtest

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regtest/isdb/rt-emmi/1ubq_GMM_PLUMED.dat 0 → 100644
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#! FIELDS Id Weight Mean_0 Mean_1 Mean_2 Cov_00 Cov_01 Cov_02 Cov_11 Cov_12 Cov_22 Beta
0 2.1745133e-03 2.52705 3.89584 1.45411 3.348343e-02 -2.031358e-02 -3.667338e-03 2.557725e-02 3.648385e-03 7.903291e-03 1
1 4.8815066e-03 3.76485 1.84827 1.81811 4.675340e-03 -5.305523e-04 -4.294204e-04 6.557633e-03 1.965333e-03 1.289980e-02 1
2 1.0120180e-03 3.84544 3.49350 2.98247 5.777433e-03 -2.142555e-04 -1.249914e-03 4.373080e-03 5.319987e-05 5.781529e-03 1
3 6.0921629e-03 2.23389 1.81591 1.40426 1.486820e-02 -2.940776e-03 -6.192346e-03 1.084976e-02 3.072384e-03 3.332300e-02 1
4 1.1975406e-02 2.63588 2.00726 0.74912 3.002926e-02 5.544774e-03 1.623698e-03 1.063961e-02 -3.434113e-03 1.669143e-02 1
5 5.7228354e-03 2.30346 3.36449 1.19966 9.865296e-03 1.154588e-03 4.172370e-03 2.261296e-02 -9.861718e-04 1.586187e-02 1
6 4.4803185e-03 3.99125 4.00438 3.58136 1.162899e-02 -3.527922e-03 1.791647e-03 6.219171e-03 -8.763974e-04 6.058616e-03 1
7 2.0096674e-03 2.52320 3.44803 1.81082 3.616345e-02 -1.290168e-02 4.682833e-03 1.692658e-02 -1.841096e-03 1.013632e-02 1
8 1.6144218e-03 2.06471 1.85569 1.67863 5.592130e-03 4.787848e-04 -1.011570e-03 4.646684e-03 -3.655772e-04 5.009103e-03 1
9 7.1409850e-04 3.85104 3.20301 1.28811 4.315417e-03 3.410069e-04 -3.739003e-05 5.549167e-03 -3.270799e-04 4.231462e-03 1
10 1.9287508e-03 3.24496 3.38857 1.81175 1.488702e-02 1.349901e-04 -2.294025e-03 1.230333e-02 -3.975515e-03 1.172921e-02 1
11 1.9170353e-03 2.45692 2.43348 0.55643 1.256291e-02 3.431604e-03 -6.488001e-03 9.467921e-03 -5.246592e-03 2.451231e-02 1
12 3.2342357e-03 2.89329 2.02926 0.54420 1.068067e-02 -1.551892e-03 -4.971204e-03 1.129059e-02 4.483477e-03 3.116123e-02 1
13 2.9111230e-03 2.92278 3.40714 1.83274 5.871744e-02 6.109632e-04 -6.792141e-04 1.043302e-02 -6.151849e-04 1.001261e-02 1
14 1.0039773e-02 4.14256 3.19275 1.94037 1.577933e-02 1.659502e-03 9.560941e-03 1.546541e-02 -2.098642e-03 2.093313e-02 1
15 1.0324350e-02 3.24511 3.58760 1.00673 2.636530e-02 -1.492336e-02 5.734206e-03 2.511440e-02 -9.608473e-04 1.351402e-02 1
16 1.1029319e-02 3.97793 2.83811 1.95761 1.407255e-02 2.268108e-03 -4.325464e-03 2.524507e-02 6.330525e-03 1.422057e-02 1
17 6.3588028e-03 2.57087 3.29901 1.58148 9.215227e-03 3.047773e-03 3.540293e-03 1.254732e-02 5.169549e-03 2.373252e-02 1
18 5.8351750e-04 2.70471 2.90283 2.06496 7.286637e-03 -1.457344e-03 4.462386e-04 1.086980e-02 -3.517571e-03 7.201019e-03 1
19 8.7715930e-04 4.08215 2.99705 1.44764 3.553413e-02 -1.002927e-02 1.632699e-02 1.488484e-02 -8.152021e-03 1.905653e-02 1
20 7.1289122e-03 2.99505 4.16761 1.94439 1.342967e-02 7.908489e-03 -9.382680e-03 2.803468e-02 -1.841746e-02 3.421192e-02 1
21 1.0146129e-03 3.44847 2.92436 2.67979 8.845422e-03 4.558801e-03 2.373513e-03 1.324165e-02 2.225627e-03 1.459491e-02 1
22 7.3093060e-04 3.87283 3.43948 1.75399 2.270141e-02 -1.010211e-02 8.337602e-04 1.917820e-02 -5.565423e-03 1.524656e-02 1
23 6.2782114e-03 1.85933 2.88967 2.04326 1.068107e-02 4.065677e-03 3.784829e-03 1.155815e-02 4.220484e-03 2.545489e-02 1
24 6.7814360e-04 3.02057 1.58411 1.84797 4.526588e-03 -5.573483e-05 9.578472e-05 6.181266e-03 1.106473e-03 4.983455e-03 1
25 2.6205810e-03 3.63870 3.35318 2.72865 2.180046e-02 1.326580e-02 -1.618890e-05 3.269048e-02 -2.417256e-03 9.802597e-03 1
26 2.0863140e-03 2.57534 2.55795 1.87056 1.426960e-02 1.007757e-03 -7.552252e-04 9.083855e-03 -3.263657e-03 1.506358e-02 1
27 6.9774410e-04 3.17368 4.02002 1.58423 4.064676e-03 -1.242264e-06 -1.116809e-05 4.821270e-03 -2.350285e-04 4.139404e-03 1
28 1.3948962e-03 4.13862 3.02133 1.13034 9.803881e-03 -4.266231e-04 -5.233995e-03 1.779152e-02 7.677942e-03 2.998248e-02 1
29 1.6045770e-04 2.83958 2.06680 0.82748 4.487061e-03 5.611629e-05 5.096086e-04 4.119048e-03 4.668262e-05 4.964103e-03 1
30 8.3037709e-03 2.09488 2.62878 0.69554 9.370541e-03 3.880245e-03 -4.025618e-03 2.003103e-02 -1.061269e-02 3.214006e-02 1
31 5.4856183e-03 2.62756 1.96162 1.41708 1.350694e-02 -5.228288e-03 2.687603e-03 1.672090e-02 -9.193876e-03 1.774746e-02 1
32 2.0907530e-03 3.28143 4.14875 1.18743 3.703616e-02 -1.168155e-02 -1.582828e-02 1.334104e-02 7.592583e-03 1.883600e-02 1
33 6.0853447e-03 2.59262 2.99740 1.43290 1.686959e-02 -6.492041e-03 1.064757e-03 2.643070e-02 3.327747e-03 9.762260e-03 1
34 7.8200502e-03 3.51822 3.60103 2.20751 1.851438e-02 5.026918e-03 -8.159018e-03 1.254942e-02 -1.168001e-03 2.061736e-02 1
35 1.1434599e-03 4.08005 3.63698 1.38102 4.337854e-03 3.042300e-05 1.385432e-04 5.906878e-03 9.216804e-04 4.894365e-03 1
36 1.0329206e-03 3.03233 1.67595 1.90482 1.316978e-02 9.358539e-05 3.624364e-03 1.257339e-02 3.600300e-03 9.341642e-03 1
37 1.4522140e-03 3.12028 3.04576 0.60863 1.065275e-02 -1.202474e-04 -8.482183e-05 5.660487e-02 1.410320e-02 1.329784e-02 1
38 7.7196710e-04 2.70875 1.65369 1.37307 1.591242e-02 -2.637573e-03 -1.501634e-03 9.334412e-03 8.281243e-04 6.647188e-03 1
39 2.0330223e-03 3.63553 3.34776 2.72906 2.154868e-02 1.317345e-02 -1.012412e-04 3.303022e-02 -2.545816e-03 9.806257e-03 1
40 4.2900572e-03 2.67555 3.28164 0.19941 1.407808e-02 1.640972e-03 3.548487e-04 6.323847e-03 -8.978769e-04 6.116182e-03 1
41 4.7252340e-04 2.31928 2.95997 1.89389 2.203385e-02 9.936196e-03 9.439724e-04 1.437946e-02 -1.291586e-03 9.864174e-03 1
42 5.4795851e-03 2.75236 1.75710 0.88868 1.520376e-02 -9.431241e-03 -6.500953e-03 1.723057e-02 6.117561e-03 1.571670e-02 1
43 9.2738830e-04 2.59293 2.99665 1.43280 1.687017e-02 -6.474708e-03 1.057668e-03 2.634129e-02 3.317713e-03 9.747135e-03 1
44 1.0124416e-02 2.38785 2.16770 1.91568 1.780902e-02 -3.502595e-03 6.482706e-03 7.096626e-03 -1.563835e-03 2.321913e-02 1
45 1.5025773e-03 4.13860 3.02140 1.13043 9.802143e-03 -4.222604e-04 -5.230085e-03 1.779017e-02 7.669322e-03 2.997760e-02 1
46 8.9183501e-03 2.05843 2.77110 1.50979 1.313333e-02 3.645952e-03 5.415847e-03 1.366236e-02 -2.079220e-03 1.521743e-02 1
47 2.2230158e-03 2.13140 2.84634 0.58232 1.008406e-02 3.187252e-03 -6.555632e-04 3.741110e-02 8.192695e-05 2.272479e-02 1
48 3.3243693e-03 3.60457 2.99926 1.75079 1.398472e-02 1.777411e-03 -6.738486e-04 5.789629e-03 6.192424e-04 6.631945e-03 1
49 8.4877600e-04 3.77432 2.80454 2.16741 1.061684e-02 1.205709e-04 3.366460e-04 4.658939e-03 3.925719e-05 5.689640e-03 1
50 1.1222637e-03 3.06039 3.08503 2.39948 3.969968e-02 -6.491234e-03 -2.571939e-02 9.655780e-03 5.618648e-03 3.145457e-02 1
51 4.6594830e-04 3.06668 3.76066 0.97400 1.054819e-02 -9.055183e-03 -6.100978e-03 8.262442e-02 4.676977e-02 4.228986e-02 1
52 8.7881585e-03 3.00786 3.52608 2.29957 2.492879e-02 -2.163634e-03 -2.559728e-03 9.627861e-03 3.966482e-03 1.965530e-02 1
53 7.6074181e-03 3.91290 2.84373 2.35090 1.689184e-02 -2.036764e-03 8.854947e-03 1.205102e-02 3.425159e-03 3.045112e-02 1
54 3.6398976e-03 3.02180 1.86640 1.14569 2.111078e-02 1.249832e-02 2.043812e-02 2.708817e-02 2.358745e-02 4.921282e-02 1
55 3.4643337e-03 3.03272 1.87983 1.16764 2.164457e-02 1.306544e-02 2.152428e-02 2.779617e-02 2.502252e-02 5.187549e-02 1
56 4.4046281e-03 3.18096 2.82521 0.01205 1.189232e-02 -2.852488e-03 2.048758e-03 5.596808e-03 -8.260371e-04 6.477945e-03 1
57 8.3120000e-04 1.87273 2.34758 1.23204 5.856645e-03 -1.070197e-03 2.060881e-04 5.311247e-03 -2.617430e-04 4.337460e-03 1
58 1.9196625e-03 3.95998 3.31450 2.34355 2.631107e-02 1.121142e-02 1.007658e-03 1.914301e-02 -1.694223e-03 7.682408e-03 1
59 6.2715422e-03 3.04969 2.09528 2.10200 2.593232e-02 -4.755995e-03 -2.781746e-03 9.988739e-03 3.562135e-03 1.159246e-02 1
60 3.9888665e-03 3.71911 3.76971 1.08223 5.313771e-03 1.297778e-03 2.274490e-03 7.546240e-03 3.027953e-03 1.109929e-02 1
61 1.3078650e-03 2.36138 1.91795 1.24694 1.517407e-02 5.422421e-03 -6.209785e-04 2.458242e-02 6.471722e-03 1.168694e-02 1
62 2.2121141e-03 3.25284 2.97711 0.91396 1.450171e-02 2.505270e-03 5.318495e-04 8.792102e-03 -1.483677e-03 1.611974e-02 1
63 2.9818009e-03 3.51790 4.04625 0.98986 7.366748e-03 2.410956e-04 -7.517780e-04 7.259000e-03 2.982243e-03 1.365593e-02 1
64 1.0054251e-02 2.66754 3.09665 0.74468 1.077684e-02 4.120934e-03 2.674402e-03 3.232094e-02 2.707857e-02 4.192463e-02 1
65 5.1266160e-04 2.32025 3.20363 1.37505 1.213175e-02 3.817852e-04 -1.482391e-03 5.091246e-03 -6.123019e-04 6.591377e-03 1
66 2.1454339e-03 2.52744 3.89550 1.45404 3.350125e-02 -2.033831e-02 -3.675367e-03 2.560906e-02 3.658846e-03 7.909216e-03 1
67 2.5732523e-03 2.49905 2.07240 1.26457 3.614565e-02 2.302889e-02 -6.289174e-03 3.215680e-02 -5.038502e-03 1.292517e-02 1
68 4.5824251e-03 3.43486 2.25228 2.14129 1.019153e-02 -1.918609e-03 3.495156e-03 6.815059e-03 -1.381730e-03 6.693594e-03 1
69 5.1227995e-03 3.78228 2.61383 1.44625 1.707260e-02 -5.968207e-03 -7.560649e-03 1.776554e-02 4.999717e-03 1.335725e-02 1
70 7.5215724e-03 3.87285 3.43945 1.75399 2.270322e-02 -1.010269e-02 8.322644e-04 1.917912e-02 -5.565024e-03 1.524720e-02 1
71 6.1709831e-03 2.68351 2.86144 0.87950 1.732446e-02 3.831545e-04 7.871411e-03 1.250624e-02 -3.977024e-03 1.960946e-02 1
72 3.4829315e-03 2.62716 2.52983 1.95284 1.632511e-02 -2.725554e-03 5.813535e-03 1.090486e-02 -6.063509e-03 2.640668e-02 1
73 5.0547076e-03 4.29199 2.85419 0.87547 8.266447e-03 -1.361816e-03 3.481698e-03 5.125255e-03 -1.736343e-03 1.096131e-02 1
74 3.5192662e-03 3.12970 2.00995 0.97105 1.188048e-02 2.482656e-03 -7.783466e-03 1.244032e-02 -5.275989e-03 2.122943e-02 1
75 1.3783710e-04 2.71791 3.33641 1.06716 1.452844e-02 4.331039e-03 5.639914e-03 1.046567e-02 2.609205e-03 1.828345e-02 1
76 1.8634550e-03 2.67483 3.06887 0.31325 8.696482e-03 1.391179e-03 -5.515634e-04 3.180310e-02 -8.229948e-03 1.290611e-02 1
77 9.0950581e-03 2.15517 3.06378 0.63400 8.414067e-03 -9.923614e-04 1.310772e-03 1.467054e-02 -2.641112e-03 5.218869e-02 1
78 8.2353272e-03 3.53993 2.19540 1.34722 9.447337e-03 1.468962e-03 1.244385e-03 1.337293e-02 3.067683e-03 4.047372e-02 1
79 1.2514992e-03 3.56532 2.08655 1.73140 2.864557e-02 -1.534037e-02 7.498700e-03 2.266799e-02 -7.743220e-03 1.225815e-02 1
80 4.4155272e-03 4.32009 2.85693 1.62952 7.865285e-03 2.520708e-03 2.900239e-03 1.074416e-02 2.268138e-03 8.288432e-03 1
81 8.9532890e-04 3.48392 2.69845 1.31640 4.341108e-03 4.122158e-04 -2.340145e-04 5.141866e-03 -6.712225e-04 4.725066e-03 1
82 6.4376637e-03 2.97760 2.47761 0.71838 1.556080e-02 2.323153e-03 1.980343e-03 1.266990e-02 5.150453e-03 1.974875e-02 1
83 2.2671519e-03 2.72719 1.49951 2.06215 1.212096e-02 -7.257386e-03 2.348097e-03 1.868114e-02 -3.179574e-04 1.007969e-02 1
84 1.7575589e-03 3.46454 2.62723 1.82810 1.804631e-02 1.082621e-03 -1.750218e-02 7.538011e-03 -2.865492e-03 4.499805e-02 1
85 2.2913714e-03 2.13089 2.85392 0.61297 9.808591e-03 3.895348e-03 -5.521659e-04 4.098103e-02 -3.415851e-04 3.291591e-02 1
86 8.3266274e-03 2.69911 2.62692 0.34333 1.040343e-02 -2.109599e-03 1.666949e-03 2.527122e-02 4.908715e-03 1.011300e-02 1
87 4.5867781e-03 2.87328 1.99244 2.38561 9.378356e-03 -1.714526e-03 -1.574539e-03 1.799356e-02 -1.223126e-02 2.422230e-02 1
88 3.3861287e-03 2.85484 1.89866 2.54186 8.183908e-03 -4.337123e-03 5.820902e-04 1.012719e-02 -1.508790e-03 5.768702e-03 1
89 2.1404833e-03 3.24498 3.38857 1.81175 1.488271e-02 1.360922e-04 -2.293851e-03 1.230390e-02 -3.976328e-03 1.172938e-02 1
90 6.0881878e-03 1.94854 2.27218 1.25197 2.176853e-02 6.512879e-03 -3.498391e-03 1.642764e-02 -5.314811e-03 1.038010e-02 1
91 1.4935227e-03 2.54555 2.47651 2.32229 5.211577e-03 1.104161e-03 -9.759925e-04 6.957591e-03 -1.298636e-03 5.711297e-03 1
92 8.9922250e-04 3.11504 4.51651 1.56376 4.537108e-03 5.590960e-04 -2.942235e-04 5.103560e-03 -6.149175e-04 4.632384e-03 1
93 1.1530388e-03 2.82617 3.56647 1.34791 2.074750e-02 -1.717988e-02 -5.888580e-03 3.802226e-02 1.140852e-02 1.574933e-02 1
94 3.1425952e-03 3.99318 3.47361 1.00398 5.589653e-03 1.038380e-03 -1.628977e-03 8.911395e-03 -2.098380e-03 1.224504e-02 1
95 6.9774768e-03 4.39514 2.99614 2.96339 1.727340e-02 -1.455666e-03 -2.240230e-03 6.639848e-03 -1.226009e-03 1.237870e-02 1
96 9.7512112e-03 3.16576 4.37932 1.68995 2.674628e-02 -2.608232e-03 1.127165e-02 1.081369e-02 -4.130944e-03 2.044161e-02 1
97 2.0316994e-03 3.89445 3.26419 0.89399 3.461934e-02 -7.712725e-03 1.148266e-02 1.185723e-02 -4.006897e-03 1.480178e-02 1
98 6.2020632e-03 4.08216 2.99704 1.44765 3.553377e-02 -1.002926e-02 1.632722e-02 1.488478e-02 -8.152032e-03 1.905679e-02 1
99 6.6476359e-03 3.22756 1.87527 1.44712 1.229497e-02 -3.115489e-03 1.193745e-03 2.686697e-02 -2.021916e-03 9.641301e-03 1
100 2.0458167e-03 2.06057 2.54974 2.22437 2.738858e-02 1.216320e-02 8.617654e-03 1.950241e-02 6.399679e-03 1.313017e-02 1
101 8.4381930e-04 3.93566 3.05937 2.04585 4.941731e-03 -5.392057e-04 -5.222819e-04 4.640882e-03 3.905600e-04 4.506233e-03 1
102 7.2394230e-03 2.87493 3.89112 1.02925 2.269444e-02 1.969922e-03 6.877462e-05 1.512744e-02 4.774425e-03 1.075807e-02 1
103 9.5856970e-04 3.12620 2.21735 1.67088 3.227023e-02 -2.083854e-03 -5.720180e-03 1.735705e-02 7.748779e-03 1.926145e-02 1
104 7.8023464e-03 2.31869 3.55964 1.76606 1.422302e-02 -8.785495e-04 3.698099e-03 1.254044e-02 -1.806029e-03 8.008990e-03 1
105 3.3528255e-03 3.05761 3.48753 0.84410 8.281966e-03 1.585883e-03 -3.440219e-03 6.416756e-03 -3.657658e-04 1.151010e-02 1
106 7.0425300e-04 2.42600 2.40956 0.61865 9.271739e-03 1.383375e-03 -9.922763e-04 7.931331e-03 -1.940179e-03 1.697556e-02 1
107 1.6434908e-03 2.33438 3.13177 0.97064 6.625942e-03 6.169094e-05 -1.425143e-03 4.561869e-03 2.186050e-04 5.646179e-03 1
108 4.3354370e-03 2.73005 2.30220 1.18025 1.007389e-02 2.862770e-03 -1.796840e-03 1.179501e-02 3.176976e-04 1.594558e-02 1
109 2.3787826e-03 2.28471 2.71128 2.29458 3.942420e-02 -1.219712e-02 2.291128e-03 1.512684e-02 -1.397820e-03 1.125275e-02 1
110 9.6149090e-04 2.77584 3.16763 0.73537 5.674749e-03 2.998230e-04 -9.024218e-04 4.409930e-03 -1.061627e-04 4.838750e-03 1
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130 8.8320572e-03 3.08902 3.41329 0.56045 1.591291e-02 -7.784208e-03 2.195425e-03 1.797861e-02 -5.062517e-03 1.342865e-02 1
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132 3.9358090e-04 3.40931 2.20427 2.13387 1.154570e-02 1.884059e-03 3.050635e-03 1.284776e-02 5.745006e-05 7.045716e-03 1
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135 4.0078255e-03 4.18206 3.40559 1.58295 1.342304e-02 5.165934e-04 -4.621591e-06 6.348815e-03 -2.217309e-03 1.755978e-02 1
136 2.0332475e-03 3.61104 3.08301 1.34755 4.372653e-02 1.640355e-03 -9.541662e-03 1.348586e-02 3.159982e-03 1.428572e-02 1
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142 2.7513717e-03 2.90323 1.99803 0.35713 1.109072e-02 -4.629274e-04 2.066075e-03 6.641782e-03 -2.214358e-03 1.985808e-02 1
143 4.4315700e-04 1.75081 2.39289 0.74529 2.606215e-02 7.447170e-03 6.118708e-03 1.120672e-02 1.501114e-04 1.144152e-02 1
144 9.6797840e-04 3.77940 2.80467 2.16827 1.111602e-02 1.336314e-04 5.074825e-04 4.712511e-03 4.759245e-05 5.891915e-03 1
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147 2.6605575e-03 2.73863 3.36279 1.05478 3.209798e-02 -2.666445e-03 2.752622e-02 1.256320e-02 -3.021854e-03 4.274596e-02 1
148 4.5946579e-03 1.62494 2.12724 1.20161 9.903673e-03 -3.287422e-03 -2.213442e-03 7.773024e-03 2.554593e-03 8.334646e-03 1
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150 5.4760525e-03 2.00680 2.64373 0.23472 1.877837e-02 1.522077e-03 1.100937e-02 7.731233e-03 2.168409e-03 2.289289e-02 1
151 9.6483362e-03 2.01296 2.15320 1.49782 3.858630e-02 8.961483e-04 2.745000e-02 1.146951e-02 2.949604e-03 3.547077e-02 1
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153 4.4974579e-03 4.16327 3.19269 3.04034 1.104096e-02 -6.531623e-03 9.652236e-04 2.782724e-02 -3.161263e-03 9.679162e-03 1
154 1.2488514e-03 2.22506 3.11203 0.98610 1.335177e-02 6.844551e-03 1.062735e-02 2.251933e-02 1.590443e-02 4.572157e-02 1
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156 1.3101954e-03 3.20263 2.58472 0.53487 1.145118e-02 4.175433e-05 9.534742e-04 5.605159e-03 -5.746447e-04 5.263159e-03 1
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158 9.0640975e-03 2.50349 3.46874 0.62982 1.354582e-02 4.039740e-03 2.217775e-03 9.402849e-03 -1.845635e-03 1.982105e-02 1
159 3.9036600e-04 2.89381 4.04910 1.69270 4.851714e-03 -5.712949e-04 5.654055e-04 4.659913e-03 -3.959175e-04 4.695203e-03 1
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161 1.2859595e-03 3.89449 3.26418 0.89401 3.461924e-02 -7.713329e-03 1.148129e-02 1.185788e-02 -4.007066e-03 1.480006e-02 1
162 1.5816808e-03 4.18206 3.40559 1.58294 1.342252e-02 5.164116e-04 -4.113975e-06 6.348963e-03 -2.217643e-03 1.756144e-02 1
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169 7.1623740e-04 3.00894 3.55008 2.01417 5.175194e-03 1.631386e-04 3.857050e-04 1.131757e-02 -2.689307e-03 9.504777e-03 1
170 1.1375654e-03 4.16940 3.16125 1.26953 5.171809e-03 1.243966e-03 -1.095840e-04 6.293456e-03 2.699160e-05 4.549458e-03 1
171 8.2777511e-03 2.02822 2.86768 1.90801 3.014393e-02 3.765801e-05 -6.578698e-03 1.013461e-02 -3.366475e-04 1.694342e-02 1
172 8.1921760e-04 2.59645 2.98801 1.43158 1.685675e-02 -6.228964e-03 9.817718e-04 2.527021e-02 3.203295e-03 9.576744e-03 1
173 3.7971152e-03 2.85048 2.01633 0.25989 1.107765e-02 1.323921e-03 -3.136815e-03 4.870689e-03 -1.119511e-03 7.526912e-03 1
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176 5.0864010e-04 2.91128 2.26432 1.70167 1.555149e-02 -3.385124e-04 5.051614e-03 9.771037e-03 -8.307758e-04 1.205838e-02 1
177 7.8242630e-04 1.84664 2.63395 0.10695 1.169305e-02 -1.472687e-03 4.902365e-04 6.454985e-03 3.814549e-04 5.945871e-03 1
178 8.6069930e-04 2.91297 1.86327 1.67075 6.247153e-03 1.438570e-03 1.439893e-05 5.441776e-03 -1.034721e-04 4.651252e-03 1
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185 2.5425591e-03 3.89446 3.26419 0.89399 3.461930e-02 -7.712942e-03 1.148217e-02 1.185747e-02 -4.006958e-03 1.480116e-02 1
186 1.0431075e-03 3.45131 2.92886 2.68204 9.043441e-03 4.827593e-03 2.545218e-03 1.375004e-02 2.520544e-03 1.458675e-02 1
187 4.7244494e-03 2.43751 1.56789 1.65958 1.045788e-02 1.890580e-03 3.732381e-03 6.843920e-03 1.805922e-03 7.123669e-03 1
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197 8.0983492e-03 3.20606 1.91170 2.01184 2.146138e-02 1.905471e-02 8.124426e-03 4.115789e-02 1.270966e-02 1.452113e-02 1
198 1.2903335e-03 3.60717 2.62208 0.95957 1.769539e-02 1.062815e-02 1.109156e-02 2.349948e-02 1.296637e-02 2.213906e-02 1
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209 1.5532743e-03 1.89093 2.44613 2.12178 1.701900e-02 2.650229e-04 5.409931e-03 8.637967e-03 1.827819e-03 1.244381e-02 1
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216 8.8579680e-04 3.68399 2.76825 1.06707 1.876926e-02 1.577185e-02 1.271111e-02 4.133814e-02 2.269752e-02 2.780279e-02 1
217 5.2824840e-04 3.79178 2.96346 1.05076 4.906739e-03 7.325346e-04 -8.150376e-04 5.378809e-03 -8.516647e-04 5.341464e-03 1
218 9.8807410e-04 2.31588 3.20338 1.37601 1.168241e-02 4.090677e-04 -1.532188e-03 5.036803e-03 -5.886921e-04 6.471016e-03 1
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333 1.2126289e-03 4.17489 3.51712 3.12635 1.079840e-02 3.625163e-05 -1.474329e-03 1.540790e-02 7.400584e-03 1.339458e-02 1
334 1.0078955e-03 4.11196 3.84509 3.16466 4.241004e-03 -1.271503e-04 1.512071e-04 4.649492e-03 -6.865571e-04 5.811338e-03 1
335 2.0922508e-03 2.36873 1.66567 1.16077 6.191217e-03 -1.662022e-03 9.344919e-04 6.826633e-03 -9.415123e-04 5.455050e-03 1
336 4.3322239e-03 3.62780 3.34263 0.67431 9.026281e-03 -1.847456e-03 5.245294e-03 8.316988e-03 -3.014320e-03 1.990470e-02 1
337 2.0519249e-03 3.16007 2.77260 0.25185 8.640660e-03 -1.052079e-03 -1.629293e-04 1.243224e-02 -9.193237e-03 3.410587e-02 1
338 2.5600710e-03 2.22622 1.84906 1.60077 2.341277e-02 -2.008614e-02 4.335676e-03 3.916442e-02 -5.077343e-03 1.220252e-02 1
339 1.9213968e-03 3.03287 1.88002 1.16795 2.165116e-02 1.307265e-02 2.153770e-02 2.780553e-02 2.504116e-02 5.190970e-02 1
340 1.1447470e-04 3.14005 3.45098 0.45056 4.538779e-03 2.649118e-05 -2.321258e-04 4.033602e-03 -2.654997e-05 4.140908e-03 1
341 1.8636587e-03 3.61271 2.63039 0.96639 1.794635e-02 1.109831e-02 1.134978e-02 2.462539e-02 1.355829e-02 2.245534e-02 1
342 2.2888211e-03 2.55982 2.70162 2.42453 4.555307e-02 3.449200e-03 1.895115e-02 9.197286e-03 2.326230e-03 1.957753e-02 1
343 2.8272673e-03 2.96678 4.01615 1.78088 8.729015e-03 -5.619895e-04 2.765886e-03 1.473083e-02 7.342567e-03 2.144624e-02 1
344 2.8559620e-04 3.28948 1.79265 1.46588 1.099126e-02 4.258059e-03 -4.994790e-04 1.473108e-02 -3.210686e-04 6.388005e-03 1
345 3.0040124e-03 3.12028 3.04573 0.60862 1.065280e-02 -1.204811e-04 -8.481866e-05 5.660300e-02 1.410307e-02 1.329788e-02 1
346 7.0741840e-04 3.59676 3.08402 1.35163 4.186222e-02 1.968719e-03 -9.326442e-03 1.327981e-02 3.026495e-03 1.412954e-02 1
347 6.9146900e-05 2.78061 2.64802 0.42030 4.875318e-03 -1.879449e-04 5.758814e-04 4.225095e-03 -1.222820e-04 4.530188e-03 1
348 2.3602305e-03 2.49906 2.07241 1.26457 3.614556e-02 2.302902e-02 -6.289443e-03 3.215695e-02 -5.038982e-03 1.292545e-02 1
349 1.4428844e-03 2.41394 3.07229 1.85056 4.969966e-03 8.075328e-04 -3.822846e-04 6.498501e-03 -1.671290e-03 6.119908e-03 1
350 2.0871346e-03 3.03819 3.08891 2.41777 3.613916e-02 -6.169606e-03 -2.337541e-02 9.571772e-03 5.545320e-03 3.000348e-02 1
351 8.8815780e-04 3.08268 3.49881 0.81079 8.882494e-03 1.670001e-03 -2.042044e-03 1.073028e-02 4.338646e-03 1.836478e-02 1
352 1.4448400e-03 3.03227 1.67593 1.90479 1.316821e-02 8.866643e-05 3.621629e-03 1.257138e-02 3.597867e-03 9.339189e-03 1
353 8.2016690e-04 2.00155 2.85995 2.43402 4.431580e-03 -1.254826e-04 -3.344544e-04 4.486269e-03 -1.186703e-04 6.862425e-03 1
354 1.0302869e-03 1.84665 2.63395 0.10695 1.169487e-02 -1.472470e-03 4.908702e-04 6.455268e-03 3.815612e-04 5.946445e-03 1
355 1.2217015e-03 3.07890 3.87280 0.88947 4.533912e-03 2.457066e-04 -5.518848e-04 5.308185e-03 -1.119880e-03 6.042585e-03 1
356 1.1380756e-03 3.74968 2.77575 1.51466 4.742965e-03 7.863421e-04 -2.219717e-06 6.112090e-03 1.905791e-04 4.296309e-03 1
357 6.5672100e-04 3.56515 2.08668 1.73133 2.865941e-02 -1.534505e-02 7.498965e-03 2.266958e-02 -7.742674e-03 1.225569e-02 1
358 1.3657159e-03 2.67482 3.06866 0.31331 8.695201e-03 1.390206e-03 -5.511798e-04 3.182432e-02 -8.228146e-03 1.290439e-02 1
359 4.4534900e-05 2.50749 3.10684 2.24163 1.713711e-02 -1.848771e-03 5.392996e-03 1.006153e-02 -2.425344e-03 1.453890e-02 1
360 3.0242858e-03 2.89574 3.82019 1.57414 1.589397e-02 1.202280e-02 1.105025e-02 4.157822e-02 2.994018e-02 3.877857e-02 1
361 1.4451817e-03 2.87327 1.99229 2.38581 9.375682e-03 -1.715469e-03 -1.572336e-03 1.798077e-02 -1.222024e-02 2.420776e-02 1
362 1.1015844e-03 2.52085 2.90964 0.53294 8.383754e-03 8.252920e-04 1.628615e-04 4.702444e-03 1.855745e-04 5.024549e-03 1
363 1.8649451e-03 2.52802 3.89500 1.45393 3.352706e-02 -2.037434e-02 -3.687137e-03 2.565552e-02 3.674176e-03 7.917898e-03 1
364 8.9067750e-04 1.82913 2.44060 2.08195 1.367333e-02 -2.137482e-03 1.379846e-03 6.757678e-03 4.913907e-05 8.169614e-03 1
365 5.7908584e-03 2.70796 1.73901 1.41379 1.454606e-02 -5.728347e-03 -1.883879e-03 2.156202e-02 5.535138e-03 1.175433e-02 1
366 1.8102160e-03 2.17409 2.97777 0.99307 1.343889e-02 9.216040e-03 -1.645269e-04 2.278200e-02 -5.254885e-04 1.003195e-02 1
367 1.2607653e-03 2.01015 2.86951 2.32076 9.449477e-03 -4.673131e-03 4.724439e-04 1.217612e-02 -1.567918e-03 1.493338e-02 1
368 1.3110727e-03 3.45502 2.93483 2.68508 9.288870e-03 5.164983e-03 2.759678e-03 1.442537e-02 2.899847e-03 1.457995e-02 1
369 1.6079877e-03 2.69720 3.36942 1.00457 3.027700e-02 -3.163507e-03 2.630650e-02 1.239594e-02 -4.518169e-03 4.288350e-02 1
370 2.4397020e-04 4.07922 2.99832 1.44573 3.559837e-02 -1.002752e-02 1.627447e-02 1.489680e-02 -8.147837e-03 1.900181e-02 1
371 2.1219030e-04 2.09487 2.62874 0.69560 9.370925e-03 3.880855e-03 -4.026019e-03 2.003162e-02 -1.061652e-02 3.214286e-02 1
372 8.2221650e-04 3.31949 2.35462 1.64043 4.336555e-03 3.774483e-04 -5.672745e-05 5.440391e-03 -2.494204e-04 4.178980e-03 1
373 1.7462863e-03 2.62621 2.53049 1.95108 1.626458e-02 -2.656698e-03 5.708147e-03 1.086429e-02 -6.023547e-03 2.626204e-02 1
374 4.4059338e-03 3.82018 2.99737 2.37659 2.428372e-02 -1.394267e-02 6.914611e-03 2.688544e-02 -4.801228e-03 1.560676e-02 1
375 8.8381020e-04 3.22658 3.45152 2.27693 7.347200e-03 1.752813e-03 1.009794e-03 1.341069e-02 1.690926e-03 5.523731e-03 1
376 1.1587418e-03 2.06059 2.54976 2.22438 2.738942e-02 1.216387e-02 8.617143e-03 1.950308e-02 6.399373e-03 1.312958e-02 1
377 8.3455850e-04 2.52186 2.90989 0.53309 8.500664e-03 8.520756e-04 1.890424e-04 4.725483e-03 2.000727e-04 5.070795e-03 1
378 2.5966665e-03 4.14695 3.61851 3.19157 9.446879e-03 -4.356719e-03 -2.743072e-03 3.703751e-02 1.648354e-02 1.878680e-02 1
379 2.2586901e-03 3.45452 2.93401 2.68466 9.256330e-03 5.119932e-03 2.731248e-03 1.433248e-02 2.848738e-03 1.458082e-02 1
380 1.2920575e-03 3.28107 4.14892 1.18764 3.705902e-02 -1.170315e-02 -1.583923e-02 1.335622e-02 7.602839e-03 1.884004e-02 1
381 1.0376555e-03 3.31667 4.30963 1.63074 4.062859e-03 -6.175859e-05 -7.801536e-05 4.268966e-03 3.357714e-04 4.535640e-03 1
382 1.9870000e-07 2.12606 2.67179 0.79183 4.486429e-03 5.160742e-04 3.617446e-04 5.196999e-03 7.825560e-04 5.068486e-03 1
383 5.7799020e-04 3.24531 1.92969 1.88087 4.759031e-03 2.258307e-04 -1.066066e-03 4.773245e-03 -3.708265e-04 7.153561e-03 1
384 3.7598163e-03 3.61954 3.14424 2.27980 4.724114e-02 1.361604e-02 9.999050e-03 1.728760e-02 5.059151e-03 1.202999e-02 1
385 1.3624423e-03 2.96309 4.35216 1.35562 9.544139e-03 -3.392935e-03 -4.591274e-04 9.120485e-03 7.337475e-04 1.765313e-02 1
386 4.7012928e-03 2.45686 2.43344 0.55654 1.255599e-02 3.428225e-03 -6.478496e-03 9.465404e-03 -5.242071e-03 2.450155e-02 1
387 1.4353790e-04 3.15676 2.22723 1.67432 4.232746e-02 -2.022404e-03 -6.293971e-03 1.522514e-02 4.768457e-03 1.643502e-02 1
388 1.9330064e-03 2.80811 2.33678 2.17201 1.462275e-02 -7.812293e-03 1.323571e-03 2.506288e-02 -1.085355e-03 8.666426e-03 1
389 7.6864620e-04 2.92902 4.38964 1.24768 4.693481e-03 -4.663246e-04 6.538745e-04 4.778230e-03 -7.920756e-04 6.036681e-03 1
390 1.4202475e-03 3.28253 4.14823 1.18678 3.696742e-02 -1.161722e-02 -1.579541e-02 1.329590e-02 7.562004e-03 1.882389e-02 1
391 6.2310280e-04 3.31368 3.02992 2.22384 2.188881e-02 -1.695759e-03 -3.429358e-03 1.117611e-02 -8.673257e-04 8.627298e-03 1
regtest/isdb/rt-emmi/COLVAR.reference 0 → 100644
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− 0
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#! FIELDS time gmm.scoreb gmmnd.scoreb
0.000000 -8074.612501 -8074.612501
regtest/isdb/rt-emmi/Makefile 0 → 100644
+ 1
− 0
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include ../../scripts/test.make
regtest/isdb/rt-emmi/config 0 → 100644
+ 3
− 0
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mpiprocs=1
type=driver
arg="--plumed plumed.dat --mf_pdb structure.pdb --box 100,100,100"
regtest/isdb/rt-emmi/deriva.reference 0 → 100644
+ 1816
− 0
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regtest/isdb/rt-emmi/index.ndx 0 → 100644
+ 389
− 0
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regtest/isdb/rt-emmi/plumed.dat 0 → 100644
+ 13
− 0
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# structural info
MOLINFO STRUCTURE=structure.pdb
# define all heavy atoms
protein-h: GROUP NDX_FILE=index.ndx NDX_GROUP=Protein-H
# cryo-EM CV
gmm: EMMI NO_AVER NOPBC SIGMA_MEAN=0.01 TEMP=300.0 NL_STRIDE=1 NL_CUTOFF=0.01 ATOMS=protein-h GMM_FILE=1ubq_GMM_PLUMED.dat
gmmnd: EMMI NO_AVER NOPBC SIGMA_MEAN=0.01 TEMP=300.0 NL_STRIDE=1 NL_CUTOFF=0.01 ATOMS=protein-h GMM_FILE=1ubq_GMM_PLUMED.dat NUMERICAL_DERIVATIVES
# printout
DUMPDERIVATIVES ARG=gmm.scoreb,gmmnd.scoreb STRIDE=1 FILE=deriva FMT=%8.4f
PRINT ARG=gmm.scoreb,gmmnd.scoreb FILE=COLVAR STRIDE=1
regtest/isdb/rt-emmi/structure.pdb 0 → 100644
+ 1233
− 0
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