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 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156
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Reading data/prod0_dihed.xvg...
g_cos = 1.0 | g_sin = 1.2
Correlation time for set 0 is 1.193
Reading data/prod1_dihed.xvg...
g_cos = 1.2 | g_sin = 1.2
Correlation time for set 1 is 1.248
Reading data/prod2_dihed.xvg...
g_cos = 2.6 | g_sin = 2.5
Correlation time for set 2 is 2.550
Reading data/prod3_dihed.xvg...
g_cos = 4.1 | g_sin = 4.1
Correlation time for set 3 is 4.136
Reading data/prod4_dihed.xvg...
g_cos = 1.5 | g_sin = 1.4
Correlation time for set 4 is 1.462
Reading data/prod5_dihed.xvg...
g_cos = 2.5 | g_sin = 1.0
Correlation time for set 5 is 2.471
Reading data/prod6_dihed.xvg...
g_cos = 1.2 | g_sin = 1.4
Correlation time for set 6 is 1.357
Reading data/prod7_dihed.xvg...
g_cos = 1.5 | g_sin = 1.5
Correlation time for set 7 is 1.538
Reading data/prod8_dihed.xvg...
g_cos = 1.6 | g_sin = 1.6
Correlation time for set 8 is 1.584
Reading data/prod9_dihed.xvg...
g_cos = 1.6 | g_sin = 1.6
Correlation time for set 9 is 1.601
Reading data/prod10_dihed.xvg...
g_cos = 1.2 | g_sin = 1.2
Correlation time for set 10 is 1.223
Reading data/prod11_dihed.xvg...
g_cos = 1.3 | g_sin = 2.0
Correlation time for set 11 is 1.960
Reading data/prod12_dihed.xvg...
g_cos = 1.2 | g_sin = 1.2
Correlation time for set 12 is 1.169
Reading data/prod13_dihed.xvg...
g_cos = 2.0 | g_sin = 1.9
Correlation time for set 13 is 2.039
Reading data/prod14_dihed.xvg...
g_cos = 1.5 | g_sin = 1.5
Correlation time for set 14 is 1.522
Reading data/prod15_dihed.xvg...
g_cos = 4.4 | g_sin = 4.1
Correlation time for set 15 is 4.374
Reading data/prod16_dihed.xvg...
g_cos = 12.0 | g_sin = 11.5
Correlation time for set 16 is 11.960
Reading data/prod17_dihed.xvg...
g_cos = 6.1 | g_sin = 1.5
Correlation time for set 17 is 6.128
Reading data/prod18_dihed.xvg...
g_cos = 1.6 | g_sin = 1.6
Correlation time for set 18 is 1.612
Reading data/prod19_dihed.xvg...
g_cos = 1.0 | g_sin = 1.0
Correlation time for set 19 is 1.000
Reading data/prod20_dihed.xvg...
g_cos = 1.4 | g_sin = 1.8
Correlation time for set 20 is 1.834
Reading data/prod21_dihed.xvg...
g_cos = 3.1 | g_sin = 3.6
Correlation time for set 21 is 3.584
Reading data/prod22_dihed.xvg...
g_cos = 1.2 | g_sin = 1.2
Correlation time for set 22 is 1.226
Reading data/prod23_dihed.xvg...
g_cos = 1.1 | g_sin = 1.3
Correlation time for set 23 is 1.277
Reading data/prod24_dihed.xvg...
g_cos = 1.4 | g_sin = 1.8
Correlation time for set 24 is 1.780
Reading data/prod25_dihed.xvg...
g_cos = 1.4 | g_sin = 2.3
Correlation time for set 25 is 2.346
Evaluating reduced potential energies...
PMF initialized
PMF (in units of kT)
bin f df
-175.0 0.923 0.084
-165.0 2.855 0.125
-155.0 5.653 0.162
-145.0 8.544 0.237
-135.0 11.271 0.275
-125.0 12.355 0.339
-115.0 11.917 0.372
-105.0 9.875 0.374
-95.0 6.838 0.376
-85.0 4.292 0.380
-75.0 2.674 0.386
-65.0 1.989 0.398
-55.0 2.511 0.402
-45.0 3.643 0.409
-35.0 5.483 0.418
-25.0 7.910 0.422
-15.0 10.858 0.425
-5.0 13.765 0.437
5.0 15.018 0.431
15.0 13.669 0.431
25.0 11.437 0.434
35.0 8.833 0.436
45.0 6.711 0.435
55.0 5.371 0.439
65.0 5.158 0.416
75.0 6.132 0.384
85.0 7.281 0.345
95.0 8.170 0.318
105.0 8.602 0.299
115.0 8.903 0.283
125.0 8.440 0.270
135.0 7.413 0.262
145.0 5.084 0.240
155.0 2.585 0.170
165.0 0.665 0.090
175.0 0.000 0.000
PMF (in units of kT)
bin f
-175.0 0.992
-165.0 2.351
-155.0 4.827
-145.0 7.789
-135.0 10.496
-125.0 11.972
-115.0 11.286
-105.0 8.654
-95.0 5.805
-85.0 3.732
-75.0 2.339
-65.0 1.834
-55.0 2.310
-45.0 3.386
-35.0 5.059
-25.0 7.276
-15.0 10.051
-5.0 12.955
5.0 14.451
15.0 12.955
25.0 10.468
35.0 7.917
45.0 6.134
55.0 5.113
65.0 5.060
75.0 5.860
85.0 7.059
95.0 7.897
105.0 8.393
115.0 8.562
125.0 8.078
135.0 6.589
145.0 4.159
155.0 1.919
165.0 0.344
175.0 0.000
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