CTEST_FULL_OUTPUT
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
T 2023752160 1
T 2023752160 4
T 2023752160 9
T 2023752160 12
T 2023752160 15
T 2023752160 26
T 2023752160 33
T 2023752160 37
T 2023752160 38
T 2023752160 50
T 2023752160 53
T 2023752160 2
T 2023752160 7
T 2023752160 11
T 2023752160 14
T 2023752160 19
T 2023752160 24
T 2023752160 25
T 2023752160 28
T 2023752160 42
T 2023752160 43
T 2023752160 45
T 2023752160 47
T 2023752160 3
T 2023752160 5
T 2023752160 13
T 2023752160 16
T 2023752160 35
T 2023752160 48
T 2023752160 6
T 2023752160 10
T 2023752160 17
T 2023752160 20
T 2023752160 21
T 2023752160 22
T 2023752160 23
T 2023752160 29
T 2023752160 30
T 2023752160 32
T 2023752160 34
T 2023752160 39
T 2023752160 40
T 2023752160 41
T 2023752160 44
T 2023752160 46
T 2023752160 51
T 2023752160 52
T 2023752160 8
T 2023752160 18
T 2023752160 27
T 2023752160 31
T 2023752160 36
T 2023752160 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