Tuesday, November 05 2024 03:33:53
UNRES
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CTEST_FULL_OUTPUT
1l2y_csa_GB000.stat
unit 19 opened
unit 9 opened
print_dist F
iopt 1
NRES=22 IOPT=1 NCUT=2 CUTOFF=-10 9 PDBOUT=100 ECUT=50
is 1
ie 10000000
isampl 1
is 1 ie 10000000
22
21 14 5 8 4 13 7 5 19 16 10 10 20 12 12 10 18 20 20 20
12 21
Call Read_Bridge.
ns= 0
NNT= 1 NCT= 22
MAIN: nnt= 2 nct= 21
Number of cutoffs: 2
Cutoff values:
RCUTOFF( 1)= 10.0** 0
RCUTOFF( 2)= 9.0 0 0
IC: 1 ENERGY: -88.12000000000000
IC: 2 ENERGY: -86.73000000000000
IC: 3 ENERGY: -90.84999999999999
IC: 4 ENERGY: -86.50000000000000
IC: 5 ENERGY: -85.90000000000001
IC: 6 ENERGY: -84.13000000000000
IC: 7 ENERGY: -85.29000000000001
IC: 8 ENERGY: -89.26000000000001
IC: 9 ENERGY: -83.94000000000000
IC: 10 ENERGY: -84.09999999999999
IC: 11 ENERGY: -83.70999999999999
IC: 12 ENERGY: -84.95000000000000
IC: 13 ENERGY: -86.20000000000000
IC: 14 ENERGY: -85.23999999999999
IC: 15 ENERGY: -85.11000000000000
IC: 16 ENERGY: -86.44000000000000
IC: 17 ENERGY: -85.95000000000000
IC: 18 ENERGY: -84.52000000000000
IC: 19 ENERGY: -86.12000000000000
IC: 20 ENERGY: -86.34999999999999
IC: 21 ENERGY: -85.94000000000000
IC: 22 ENERGY: -86.90000000000001
IC: 23 ENERGY: -86.67000000000000
IC: 24 ENERGY: -90.76000000000001
IC: 25 ENERGY: -87.64000000000000
IC: 26 ENERGY: -86.44000000000000
IC: 27 ENERGY: -84.40000000000001
IC: 28 ENERGY: -86.15000000000001
IC: 29 ENERGY: -85.73999999999999
IC: 30 ENERGY: -86.23000000000000
IC: 31 ENERGY: -83.73000000000000
IC: 32 ENERGY: -86.20999999999999
IC: 33 ENERGY: -86.23000000000000
IC: 34 ENERGY: -85.34999999999999
IC: 35 ENERGY: -86.23999999999999
IC: 36 ENERGY: -88.22000000000000
IC: 37 ENERGY: -86.70000000000000
IC: 38 ENERGY: -87.22000000000000
IC: 39 ENERGY: -83.72000000000000
IC: 40 ENERGY: -90.34000000000000
IC: 41 ENERGY: -87.38000000000000
IC: 42 ENERGY: -85.64000000000000
IC: 43 ENERGY: -86.87000000000000
IC: 44 ENERGY: -87.55000000000000
IC: 45 ENERGY: -85.69000000000000
IC: 46 ENERGY: -86.81000000000000
IC: 47 ENERGY: -87.80000000000000
IC: 48 ENERGY: -87.70000000000000
IC: 49 ENERGY: -83.77000000000000
IC: 50 ENERGY: -85.11000000000000
IC: 51 ENERGY: -86.88000000000000
IC: 52 ENERGY: -86.09000000000000
IC: 53 ENERGY: -85.02000000000000
IC: 54 ENERGY: -84.27000000000000
IC: 55 ENERGY: -85.44000000000000
IC: 56 ENERGY: -85.51000000000001
IC: 57 ENERGY: -85.20999999999999
IC: 58 ENERGY: -84.30000000000000
IC: 59 ENERGY: -88.27000000000000
IC: 60 ENERGY: -87.23999999999999
IC: 61 ENERGY: -86.01000000000001
IC: 62 ENERGY: -84.56999999999999
IC: 63 ENERGY: -85.68000000000001
IC: 64 ENERGY: -85.27000000000000
IC: 65 ENERGY: -84.94000000000000
IC: 66 ENERGY: -84.47000000000000
IC: 67 ENERGY: -91.04000000000001
IC: 68 ENERGY: -83.67000000000000
IC: 69 ENERGY: -83.78000000000000
IC: 70 ENERGY: -85.54000000000001
IC: 71 ENERGY: -84.81999999999999
IC: 72 ENERGY: -85.59999999999999
IC: 73 ENERGY: -83.75000000000000
IC: 74 ENERGY: -85.77000000000000
IC: 75 ENERGY: -86.62000000000000
IC: 76 ENERGY: -87.05000000000000
IC: 77 ENERGY: -84.90000000000001
IC: 78 ENERGY: -85.59000000000000
IC: 79 ENERGY: -89.61000000000000
IC: 80 ENERGY: -85.61000000000000
IC: 81 ENERGY: -87.20999999999999
IC: 82 ENERGY: -86.38000000000000
IC: 83 ENERGY: -85.09000000000000
IC: 84 ENERGY: -90.90000000000001
IC: 85 ENERGY: -85.92000000000000
IC: 86 ENERGY: -89.25000000000000
IC: 87 ENERGY: -83.48000000000000
IC: 88 ENERGY: -88.05000000000000
IC: 89 ENERGY: -87.90000000000001
IC: 90 ENERGY: -87.01000000000001
IC: 91 ENERGY: -85.86000000000000
IC: 92 ENERGY: -87.44000000000000
IC: 93 ENERGY: -84.08000000000000
IC: 94 ENERGY: -84.72000000000000
IC: 95 ENERGY: -85.23000000000000
IC: 96 ENERGY: -89.31999999999999
IC: 97 ENERGY: -87.20999999999999
IC: 98 ENERGY: -86.19000000000000
IC: 99 ENERGY: -86.97000000000000
IC: 100 ENERGY: -88.42000000000000
IC: 101 ENERGY: -88.20999999999999
IC: 102 ENERGY: -86.43000000000001
IC: 103 ENERGY: -89.01000000000001
IC: 104 ENERGY: -92.54000000000001
IC: 105 ENERGY: -86.34000000000000
IC: 106 ENERGY: -83.97000000000000
IC: 107 ENERGY: -89.29000000000001
IC: 108 ENERGY: -86.37000000000000
IC: 109 ENERGY: -85.08000000000000
IC: 110 ENERGY: -84.83000000000000
IC: 111 ENERGY: -85.62000000000000
IC: 112 ENERGY: -86.69000000000000
IC: 113 ENERGY: -85.12000000000000
IC: 114 ENERGY: -84.09000000000000
IC: 115 ENERGY: -84.92000000000000
IC: 116 ENERGY: -89.53000000000000
IC: 117 ENERGY: -91.40000000000001
IC: 118 ENERGY: -85.31999999999999
IC: 119 ENERGY: -88.56000000000000
IC: 120 ENERGY: -83.51000000000001
IC: 121 ENERGY: -84.55000000000000
IC: 122 ENERGY: -88.09999999999999
IC: 123 ENERGY: -85.26000000000001
IC: 124 ENERGY: -88.39000000000000
IC: 125 ENERGY: -83.78000000000000
IC: 126 ENERGY: -85.41000000000000
IC: 127 ENERGY: -84.23999999999999
IC: 128 ENERGY: -86.12000000000000
IC: 129 ENERGY: -84.98000000000000
IC: 130 ENERGY: -85.56000000000000
IC: 131 ENERGY: -85.58000000000000
IC: 132 ENERGY: -85.84000000000000
IC: 133 ENERGY: -84.34000000000000
IC: 134 ENERGY: -86.41000000000000
FIO-F-235/formatted write/unit=8/edit descriptor does not match item type.
File name = '1l2y_csa_GB000_clust.int', formatted, sequential access record = 1
In source file /tmp/cdash/devel/source/source/cluster/unres/src/geomout.F, at line number 151
IC: THERE ARE 6 FAMILIES OF CONFORMATIONS
grep: 1l2y_csa*[0-9][0-9][1-9].pdb: No such file or directory
