CDash : UNRES

0.94s
Test: CLUSTER_WHAM_M_remd (Passed)
Build: devel Linux-gfortan-MPI E0LL2Y (dell15) on 2020-03-24 03:45:04
Repository revision: a30bd29e64da2aa47b84963fdd0bf4192ead2738
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Test output
CTEST_FULL_OUTPUT
 T    66301808           2
 T    66301808           5
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 T    66301808           1
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STOP ********** Program terminated normally.
STOP ********** Program terminated normally.
 T    66301808         347
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THERE ARE    5 FAMILIES OF CONFORMATIONS
1L2Y_wham_T280K_0001.pdb:REMARK CLUSTER    1 FREE ENERGY  -3.65540E+00 AVE RMSD 3.31
1L2Y_wham_T280K_0001.pdb:REMARK 1L2Y clustering      ENERGY    -1.20358E+00 RMS    3.55
1L2Y_wham_T280K_0002.pdb:REMARK CLUSTER    2 FREE ENERGY  -3.50455E+00 AVE RMSD 2.71
1L2Y_wham_T280K_0002.pdb:REMARK 1L2Y clustering      ENERGY    -1.19195E+00 RMS    2.78
1L2Y_wham_T280K_0003.pdb:REMARK CLUSTER    3 FREE ENERGY  -3.40308E+00 AVE RMSD 3.24
1L2Y_wham_T280K_0003.pdb:REMARK 1L2Y clustering      ENERGY    -1.18961E+00 RMS    3.08
1L2Y_wham_T280K_0004.pdb:REMARK CLUSTER    4 FREE ENERGY  -3.35113E+00 AVE RMSD 2.85
1L2Y_wham_T280K_0004.pdb:REMARK 1L2Y clustering      ENERGY    -1.20366E+00 RMS    3.03
1L2Y_wham_T280K_0005.pdb:REMARK CLUSTER    5 FREE ENERGY  -2.98650E+00 AVE RMSD 5.18
1L2Y_wham_T280K_0005.pdb:REMARK 1L2Y clustering      ENERGY    -1.20178E+00 RMS    4.47