CTEST_FULL_OUTPUT
STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
T -230039744 1
T -230039744 4
T -230039744 9
T -230039744 12
T -230039744 15
T -230039744 26
T -230039744 33
T -230039744 37
T -230039744 38
T -230039744 50
T -230039744 53
T -230039744 2
T -230039744 7
T -230039744 11
T -230039744 14
T -230039744 19
T -230039744 24
T -230039744 25
T -230039744 28
T -230039744 42
T -230039744 43
T -230039744 45
T -230039744 47
T -230039744 3
T -230039744 5
T -230039744 13
T -230039744 16
T -230039744 35
T -230039744 48
T -230039744 6
T -230039744 10
T -230039744 17
T -230039744 20
T -230039744 21
T -230039744 22
T -230039744 23
T -230039744 29
T -230039744 30
T -230039744 32
T -230039744 34
T -230039744 39
T -230039744 40
T -230039744 41
T -230039744 44
T -230039744 46
T -230039744 51
T -230039744 52
T -230039744 8
T -230039744 18
T -230039744 27
T -230039744 31
T -230039744 36
T -230039744 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