CTEST_FULL_OUTPUT
wrong number of coordinates in xdr3dfcoor; 5377 arg vs 42 in fileNote: 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.
T 65 1
T 65 4
T 65 9
T 65 12
T 65 15
T 65 26
T 65 33
T 65 37
T 65 38
T 65 50
T 65 53
T 65 2
T 65 7
T 65 11
T 65 14
T 65 19
T 65 24
T 65 25
T 65 28
T 65 42
T 65 43
T 65 45
T 65 47
T 65 3
T 65 5
T 65 13
T 65 16
T 65 35
T 65 48
T 65 6
T 65 10
T 65 17
T 65 20
T 65 21
T 65 22
T 65 23
T 65 29
T 65 30
T 65 32
T 65 34
T 65 39
T 65 40
T 65 41
T 65 44
T 65 46
T 65 51
T 65 52
T 65 8
T 65 18
T 65 27
T 65 31
T 65 36
T 65 49
THERE ARE 5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER 1 FREE ENERGY 4.88719E+00 AVE RMSD 3.28
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering ENERGY 5.00998E+00 RMS 3.22
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER 2 FREE ENERGY 5.51604E+00 AVE RMSD 3.73
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering ENERGY 5.86048E+00 RMS 3.93
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER 3 FREE ENERGY 5.59557E+00 AVE RMSD 4.73
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering ENERGY 5.95984E+00 RMS 4.54
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER 4 FREE ENERGY 5.79408E+00 AVE RMSD 2.24
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering ENERGY 6.38056E+00 RMS 2.19
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER 5 FREE ENERGY 6.35101E+00 AVE RMSD 4.09
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering ENERGY 6.63064E+00 RMS 3.96