CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; -1 arg vs 42 in file JESTEM
T 65 1
T 65 7
T 65 8
T 65 13
T 65 14
T 65 20
T 65 21
T 65 25
T 65 30
T 65 32
T 65 38
T 65 39
T 65 48
T 65 49
T 65 68
T 65 69
T 65 71
T 65 72
T 65 74
T 65 85
T 65 86
T 65 87
T 65 93
T 65 105
T 65 107
T 65 112
T 65 113
T 65 114
T 65 133
T 65 137
T 65 138
T 65 140
T 65 145
T 65 155
T 65 158
T 65 162
T 65 170
T 65 172
T 65 176
T 65 177
T 65 2
T 65 3
T 65 5
T 65 10
T 65 18
T 65 27
T 65 31
T 65 35
T 65 36
T 65 37
T 65 41
T 65 47
T 65 51
T 65 53
T 65 61
T 65 70
T 65 75
T 65 77
T 65 79
T 65 84
T 65 89
T 65 92
T 65 94
T 65 96
T 65 98
T 65 99
T 65 119
T 65 121
T 65 125
T 65 129
T 65 130
T 65 136
T 65 142
T 65 149
T 65 150
T 65 152
T 65 153
T 65 161
T 65 165
T 65 166
T 65 171
T 65 174
T 65 179
T 65 181
T 65 183
T 65 184
T 65 186
T 65 4
T 65 11
T 65 12
T 65 15
T 65 16
T 65 17
T 65 19
T 65 22
T 65 24
T 65 26
T 65 45
T 65 46
T 65 50
T 65 55
T 65 62
T 65 64
T 65 65
T 65 67
T 65 73
T 65 76
T 65 81
T 65 82
T 65 83
T 65 88
T 65 91
T 65 97
T 65 100
T 65 101
T 65 103
T 65 104
T 65 108
T 65 110
T 65 115
T 65 117
T 65 120
T 65 122
T 65 123
T 65 124
T 65 127
T 65 132
T 65 134
T 65 135
T 65 141
T 65 144
T 65 148
T 65 151
T 65 154
T 65 157
T 65 160
T 65 163
T 65 164
T 65 173
T 65 175
T 65 178
T 65 180
T 65 6
T 65 23
T 65 29
T 65 33
T 65 34
T 65 40
T 65 43
T 65 44
T 65 52
T Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO
STOP ********** Program terminated normally.
Note: The following floating-point exceptions are signalling: IEEE_INVALID_FLAG IEEE_DIVIDE_BY_ZERO
STOP ********** Program terminated normally.
65 54
T 65 56
T 65 57
T 65 58
T 65 59
T 65 60
T 65 66
T 65 78
T 65 80
T 65 90
T 65 95
T 65 102
T 65 111
T 65 116
T 65 118
T 65 126
T 65 131
T 65 143
T 65 159
T 65 168
T 65 169
T 65 182
T 65 185
T 65 9
T 65 28
T 65 42
T 65 63
T 65 106
T 65 109
T 65 128
T 65 139
T 65 146
T 65 147
T 65 156
T 65 167
THERE ARE 5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 2.17826E+00 AVE RMSD 5.19
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 2.31768E+00 RMS 4.98
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 2.75678E+00 AVE RMSD 4.24
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 3.47622E+00 RMS 4.29
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 2.89081E+00 AVE RMSD 3.75
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 3.64948E+00 RMS 4.52
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 3.32555E+00 AVE RMSD 3.70
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 3.77348E+00 RMS 4.06
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 3.78099E+00 AVE RMSD 4.90
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 4.01676E+00 RMS 4.79