*** RosettaFold_ModeNormaux ***
output from eigenvector calculation:
STDOUT:
CUTOFF set to default value (CUTOFF=8)
Build Tirion matrix:
Pdbmat> Computes the Hessian matrix, using an Elastic Network Model.
Pdbmat> Version 3.50, Fevrier 2004.
Pdbmat> Options to be read in pdbmat.dat file.
Pdbmat> Coordinate filename = 2401212258102128193.atom
Pdbmat> Distance cutoff = 8.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2401212258102128193.atom to be opened.
Openam> File opened: 2401212258102128193.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 177
First residue number = 1
Last residue number = 177
Number of atoms found = 2716
Mean number per residue = 15.3
Pdbmat> Coordinate statistics:
= -0.374922 +/- 8.555810 From: -19.406000 To: 20.469000
= -3.620094 +/- 8.628803 From: -23.766000 To: 18.641000
= 0.921396 +/- 8.559979 From: -17.859000 To: 22.938000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 5.9711 % Filled.
Pdbmat> 1982345 non-zero elements.
Pdbmat> 218616 atom-atom interactions.
Pdbmat> Number per atom= 160.98 +/- 52.67
Maximum number = 257
Minimum number = 22
Pdbmat> Matrix trace = 4.372320E+06
Pdbmat> Larger element = 915.489
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
177 non-zero elements, NRBL set to 1
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2401212258102128193.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2401212258102128193.atom to be opened.
Openam> file on opening on unit 11:
2401212258102128193.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2716 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 177 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 10 atoms in block 2
Block first atom: 18
Blocpdb> 11 atoms in block 3
Block first atom: 28
Blocpdb> 15 atoms in block 4
Block first atom: 39
Blocpdb> 14 atoms in block 5
Block first atom: 54
Blocpdb> 14 atoms in block 6
Block first atom: 68
Blocpdb> 14 atoms in block 7
Block first atom: 82
Blocpdb> 14 atoms in block 8
Block first atom: 96
Blocpdb> 20 atoms in block 9
Block first atom: 110
Blocpdb> 15 atoms in block 10
Block first atom: 130
Blocpdb> 16 atoms in block 11
Block first atom: 145
Blocpdb> 7 atoms in block 12
Block first atom: 161
Blocpdb> 12 atoms in block 13
Block first atom: 168
Blocpdb> 17 atoms in block 14
Block first atom: 180
Blocpdb> 15 atoms in block 15
Block first atom: 197
Blocpdb> 10 atoms in block 16
Block first atom: 212
Blocpdb> 20 atoms in block 17
Block first atom: 222
Blocpdb> 17 atoms in block 18
Block first atom: 242
Blocpdb> 15 atoms in block 19
Block first atom: 259
Blocpdb> 20 atoms in block 20
Block first atom: 274
Blocpdb> 10 atoms in block 21
Block first atom: 294
Blocpdb> 19 atoms in block 22
Block first atom: 304
Blocpdb> 14 atoms in block 23
Block first atom: 323
Blocpdb> 17 atoms in block 24
Block first atom: 337
Blocpdb> 10 atoms in block 25
Block first atom: 354
Blocpdb> 22 atoms in block 26
Block first atom: 364
Blocpdb> 24 atoms in block 27
Block first atom: 386
Blocpdb> 11 atoms in block 28
Block first atom: 410
Blocpdb> 14 atoms in block 29
Block first atom: 421
Blocpdb> 14 atoms in block 30
Block first atom: 435
Blocpdb> 10 atoms in block 31
Block first atom: 449
Blocpdb> 7 atoms in block 32
Block first atom: 459
Blocpdb> 14 atoms in block 33
Block first atom: 466
Blocpdb> 22 atoms in block 34
Block first atom: 480
Blocpdb> 20 atoms in block 35
Block first atom: 502
Blocpdb> 11 atoms in block 36
Block first atom: 522
Blocpdb> 16 atoms in block 37
Block first atom: 533
Blocpdb> 7 atoms in block 38
Block first atom: 549
Blocpdb> 10 atoms in block 39
Block first atom: 556
Blocpdb> 16 atoms in block 40
Block first atom: 566
Blocpdb> 19 atoms in block 41
Block first atom: 582
Blocpdb> 16 atoms in block 42
Block first atom: 601
Blocpdb> 12 atoms in block 43
Block first atom: 617
Blocpdb> 10 atoms in block 44
Block first atom: 629
Blocpdb> 10 atoms in block 45
Block first atom: 639
Blocpdb> 22 atoms in block 46
Block first atom: 649
Blocpdb> 7 atoms in block 47
Block first atom: 671
Blocpdb> 22 atoms in block 48
Block first atom: 678
Blocpdb> 16 atoms in block 49
Block first atom: 700
Blocpdb> 19 atoms in block 50
Block first atom: 716
Blocpdb> 11 atoms in block 51
Block first atom: 735
Blocpdb> 14 atoms in block 52
Block first atom: 746
Blocpdb> 7 atoms in block 53
Block first atom: 760
Blocpdb> 21 atoms in block 54
Block first atom: 767
Blocpdb> 11 atoms in block 55
Block first atom: 788
Blocpdb> 19 atoms in block 56
Block first atom: 799
Blocpdb> 15 atoms in block 57
Block first atom: 818
Blocpdb> 21 atoms in block 58
Block first atom: 833
Blocpdb> 14 atoms in block 59
Block first atom: 854
Blocpdb> 24 atoms in block 60
Block first atom: 868
Blocpdb> 12 atoms in block 61
Block first atom: 892
Blocpdb> 21 atoms in block 62
Block first atom: 904
Blocpdb> 22 atoms in block 63
Block first atom: 925
Blocpdb> 7 atoms in block 64
Block first atom: 947
Blocpdb> 12 atoms in block 65
Block first atom: 954
Blocpdb> 14 atoms in block 66
Block first atom: 966
Blocpdb> 7 atoms in block 67
Block first atom: 980
Blocpdb> 14 atoms in block 68
Block first atom: 987
Blocpdb> 14 atoms in block 69
Block first atom: 1001
Blocpdb> 17 atoms in block 70
Block first atom: 1015
Blocpdb> 10 atoms in block 71
Block first atom: 1032
Blocpdb> 15 atoms in block 72
Block first atom: 1042
Blocpdb> 17 atoms in block 73
Block first atom: 1057
Blocpdb> 11 atoms in block 74
Block first atom: 1074
Blocpdb> 11 atoms in block 75
Block first atom: 1085
Blocpdb> 20 atoms in block 76
Block first atom: 1096
Blocpdb> 19 atoms in block 77
Block first atom: 1116
Blocpdb> 22 atoms in block 78
Block first atom: 1135
Blocpdb> 19 atoms in block 79
Block first atom: 1157
Blocpdb> 10 atoms in block 80
Block first atom: 1176
Blocpdb> 12 atoms in block 81
Block first atom: 1186
Blocpdb> 15 atoms in block 82
Block first atom: 1198
Blocpdb> 17 atoms in block 83
Block first atom: 1213
Blocpdb> 14 atoms in block 84
Block first atom: 1230
Blocpdb> 19 atoms in block 85
Block first atom: 1244
Blocpdb> 14 atoms in block 86
Block first atom: 1263
Blocpdb> 15 atoms in block 87
Block first atom: 1277
Blocpdb> 15 atoms in block 88
Block first atom: 1292
Blocpdb> 24 atoms in block 89
Block first atom: 1307
Blocpdb> 19 atoms in block 90
Block first atom: 1331
Blocpdb> 17 atoms in block 91
Block first atom: 1350
Blocpdb> 15 atoms in block 92
Block first atom: 1367
Blocpdb> 16 atoms in block 93
Block first atom: 1382
Blocpdb> 19 atoms in block 94
Block first atom: 1398
Blocpdb> 14 atoms in block 95
Block first atom: 1417
Blocpdb> 14 atoms in block 96
Block first atom: 1431
Blocpdb> 12 atoms in block 97
Block first atom: 1445
Blocpdb> 14 atoms in block 98
Block first atom: 1457
Blocpdb> 16 atoms in block 99
Block first atom: 1471
Blocpdb> 19 atoms in block 100
Block first atom: 1487
Blocpdb> 21 atoms in block 101
Block first atom: 1506
Blocpdb> 14 atoms in block 102
Block first atom: 1527
Blocpdb> 14 atoms in block 103
Block first atom: 1541
Blocpdb> 17 atoms in block 104
Block first atom: 1555
Blocpdb> 15 atoms in block 105
Block first atom: 1572
Blocpdb> 14 atoms in block 106
Block first atom: 1587
Blocpdb> 11 atoms in block 107
Block first atom: 1601
Blocpdb> 14 atoms in block 108
Block first atom: 1612
Blocpdb> 15 atoms in block 109
Block first atom: 1626
Blocpdb> 24 atoms in block 110
Block first atom: 1641
Blocpdb> 19 atoms in block 111
Block first atom: 1665
Blocpdb> 11 atoms in block 112
Block first atom: 1684
Blocpdb> 7 atoms in block 113
Block first atom: 1695
Blocpdb> 14 atoms in block 114
Block first atom: 1702
Blocpdb> 17 atoms in block 115
Block first atom: 1716
Blocpdb> 14 atoms in block 116
Block first atom: 1733
Blocpdb> 11 atoms in block 117
Block first atom: 1747
Blocpdb> 10 atoms in block 118
Block first atom: 1758
Blocpdb> 14 atoms in block 119
Block first atom: 1768
Blocpdb> 24 atoms in block 120
Block first atom: 1782
Blocpdb> 19 atoms in block 121
Block first atom: 1806
Blocpdb> 19 atoms in block 122
Block first atom: 1825
Blocpdb> 24 atoms in block 123
Block first atom: 1844
Blocpdb> 19 atoms in block 124
Block first atom: 1868
Blocpdb> 22 atoms in block 125
Block first atom: 1887
Blocpdb> 7 atoms in block 126
Block first atom: 1909
Blocpdb> 10 atoms in block 127
Block first atom: 1916
Blocpdb> 19 atoms in block 128
Block first atom: 1926
Blocpdb> 22 atoms in block 129
Block first atom: 1945
Blocpdb> 14 atoms in block 130
Block first atom: 1967
Blocpdb> 16 atoms in block 131
Block first atom: 1981
Blocpdb> 21 atoms in block 132
Block first atom: 1997
Blocpdb> 16 atoms in block 133
Block first atom: 2018
Blocpdb> 7 atoms in block 134
Block first atom: 2034
Blocpdb> 19 atoms in block 135
Block first atom: 2041
Blocpdb> 24 atoms in block 136
Block first atom: 2060
Blocpdb> 15 atoms in block 137
Block first atom: 2084
Blocpdb> 14 atoms in block 138
Block first atom: 2099
Blocpdb> 7 atoms in block 139
Block first atom: 2113
Blocpdb> 14 atoms in block 140
Block first atom: 2120
Blocpdb> 20 atoms in block 141
Block first atom: 2134
Blocpdb> 19 atoms in block 142
Block first atom: 2154
Blocpdb> 10 atoms in block 143
Block first atom: 2173
Blocpdb> 14 atoms in block 144
Block first atom: 2183
Blocpdb> 14 atoms in block 145
Block first atom: 2197
Blocpdb> 12 atoms in block 146
Block first atom: 2211
Blocpdb> 7 atoms in block 147
Block first atom: 2223
Blocpdb> 17 atoms in block 148
Block first atom: 2230
Blocpdb> 15 atoms in block 149
Block first atom: 2247
Blocpdb> 24 atoms in block 150
Block first atom: 2262
Blocpdb> 19 atoms in block 151
Block first atom: 2286
Blocpdb> 15 atoms in block 152
Block first atom: 2305
Blocpdb> 10 atoms in block 153
Block first atom: 2320
Blocpdb> 14 atoms in block 154
Block first atom: 2330
Blocpdb> 7 atoms in block 155
Block first atom: 2344
Blocpdb> 16 atoms in block 156
Block first atom: 2351
Blocpdb> 22 atoms in block 157
Block first atom: 2367
Blocpdb> 16 atoms in block 158
Block first atom: 2389
Blocpdb> 16 atoms in block 159
Block first atom: 2405
Blocpdb> 21 atoms in block 160
Block first atom: 2421
Blocpdb> 14 atoms in block 161
Block first atom: 2442
Blocpdb> 16 atoms in block 162
Block first atom: 2456
Blocpdb> 15 atoms in block 163
Block first atom: 2472
Blocpdb> 17 atoms in block 164
Block first atom: 2487
Blocpdb> 24 atoms in block 165
Block first atom: 2504
Blocpdb> 24 atoms in block 166
Block first atom: 2528
Blocpdb> 12 atoms in block 167
Block first atom: 2552
Blocpdb> 24 atoms in block 168
Block first atom: 2564
Blocpdb> 19 atoms in block 169
Block first atom: 2588
Blocpdb> 14 atoms in block 170
Block first atom: 2607
Blocpdb> 15 atoms in block 171
Block first atom: 2621
Blocpdb> 19 atoms in block 172
Block first atom: 2636
Blocpdb> 11 atoms in block 173
Block first atom: 2655
Blocpdb> 17 atoms in block 174
Block first atom: 2666
Blocpdb> 10 atoms in block 175
Block first atom: 2683
Blocpdb> 7 atoms in block 176
Block first atom: 2693
Blocpdb> 17 atoms in block 177
Block first atom: 2699
Blocpdb> 177 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 7 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 1982522 matrix lines read.
Prepmat> Matrix order = 8148
Prepmat> Matrix trace = 4372320.0000
Prepmat> Last element read: 8148 8148 525.4137
Prepmat> 15754 lines saved.
Prepmat> 12964 empty lines.
Prepmat> Number of lines on output is as expected.
Prepmat> Normal end of Prepmat.
RTB> Entering in.
RTB> Number of atoms found in temporary coordinate file: 2716
RTB> Total mass = 2716.0000
RTB> Number of atoms found in matrix: 2716
RTB> Number of blocks = 177
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 523387.0054
RTB> 97749 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 1062
Diagstd> Nb of non-zero elements: 97749
Diagstd> Projected matrix trace = 523387.0054
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1062 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 523387.0054
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.8016798 2.3128513 6.5621376 11.9781538
17.0586087 20.6506897 23.3115641 23.9971541 27.6279818
29.6617236 33.8783103 36.4591158 38.1752052 41.0122184
42.3188686 43.7423057 44.6972172 48.3628966 50.0545458
51.2606091 52.7005490 53.2087858 55.2948989 57.7790962
59.8624685 62.3978877 64.4583439 65.1191790 67.1459463
69.6546566 70.3086071 73.0051816 74.6832172 78.0841563
78.2891210 86.1678620 89.6295521 89.9437862 91.8218358
93.8294453 95.2344564 96.8791974 96.9761988 98.9956788
99.9183300 101.5666599 103.3554461 105.5347870 105.7194199
108.5604398 110.5391871 111.1758086 112.4782332 113.2070651
114.9463593 116.5976089 117.9360857 119.9054575 122.3632373
122.8073545 125.5089315 126.6548073 128.3905427 129.0705870
129.9257741 131.1934074 131.8079148 135.2261425 137.7092594
138.5997641 140.2823850 140.7402583 144.8027662 145.8649242
147.1749622 149.0426922 150.0202101 150.9679644 152.2984302
154.1640316 155.9116424 157.3395334 158.6630435 159.7235313
161.0597645 163.4259296 166.1786644 166.9410408 167.6175822
168.2574008 169.0328587 169.7011244 170.6378877 172.2555332
174.1342217 174.3662382 176.3010870 177.3142118 179.2212227
179.8336337
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034328 0.0034332 0.0034337 0.0034338 0.0034339
0.0034394 145.7585663 165.1464085 278.1749029 375.8289432
448.5047886 493.4720518 524.3013632 531.9553123 570.7814638
591.4165482 632.0568623 655.6896767 670.9435315 695.4275811
706.4188908 718.2011829 725.9981645 755.1816563 768.2756038
777.4763042 788.3205534 792.1126603 807.4912301 825.4307666
840.1804869 857.7885094 871.8361078 876.2937989 889.8261808
906.2966150 910.5410445 927.8379315 938.4406018 959.5701758
960.8287480 1008.0171915 1028.0657557 1029.8663377 1040.5627287
1051.8767475 1059.7229354 1068.8347037 1069.3696612 1080.4468291
1085.4700966 1094.3868487 1103.9819258 1115.5604256 1116.5358344
1131.4388247 1141.7037131 1144.9866649 1151.6738959 1155.3991559
1164.2410029 1172.5735742 1179.2846213 1189.0900784 1201.2150350
1203.3929650 1216.5573768 1222.0982423 1230.4438432 1233.6981769
1237.7785056 1243.8021015 1246.7116708 1262.7739379 1274.3151652
1278.4287413 1286.1654844 1288.2627580 1306.7235238 1311.5073100
1317.3835822 1325.7163842 1330.0567296 1334.2514389 1340.1178557
1348.3008547 1355.9215201 1362.1163602 1367.8332941 1372.3969111
1378.1256316 1388.2118978 1399.8545472 1403.0619231 1405.9020567
1408.5827583 1411.8249366 1414.6129850 1418.5119980 1425.2198779
1432.9708136 1433.9251411 1441.8589422 1445.9958721 1453.7509056
1456.2325696
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2716
Rtb_to_modes> Number of blocs = 177
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.9934E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9956E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9982E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9989E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0032E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.802
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.313
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.562
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 11.98
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 17.06
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 20.65
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 23.31
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 24.00
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 27.63
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 29.66
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 33.88
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 36.46
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 38.18
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 41.01
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 42.32
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 43.74
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 44.70
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 48.36
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 50.05
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 51.26
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 52.70
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 53.21
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 55.29
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 57.78
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 59.86
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 62.40
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 64.46
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 65.12
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 67.15
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 69.65
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 70.31
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 73.01
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 74.68
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 78.08
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 78.29
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 86.17
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 89.63
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 89.94
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 91.82
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 93.83
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 95.23
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 96.88
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 96.98
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 99.00
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 99.92
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 101.6
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 103.4
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 105.5
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 105.7
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 108.6
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 110.5
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 111.2
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 112.5
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 113.2
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 114.9
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 116.6
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 117.9
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 119.9
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 122.4
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 122.8
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 125.5
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 126.7
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 128.4
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 129.1
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 129.9
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 131.2
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 131.8
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 135.2
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 137.7
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 138.6
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 140.3
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 140.7
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 144.8
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 145.9
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 147.2
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 149.0
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 150.0
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 151.0
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 152.3
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 154.2
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 155.9
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 157.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 158.7
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 159.7
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 161.1
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 163.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 166.2
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 166.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 167.6
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 168.3
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 169.0
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 169.7
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 170.6
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 172.3
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 174.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 174.4
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 176.3
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 177.3
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 179.2
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 179.8
Rtb_to_modes> 106 vectors, with 1062 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00001 1.00000 1.00000
1.00000 0.99998 1.00001 0.99999 0.99996
0.99998 0.99998 1.00000 1.00002 0.99998
1.00002 0.99998 0.99999 0.99995 1.00001
1.00000 1.00006 0.99998 0.99999 1.00001
1.00001 1.00001 0.99999 0.99999 1.00000
1.00002 0.99997 0.99999 1.00002 1.00002
0.99999 0.99999 1.00000 0.99999 0.99995
1.00004 1.00001 0.99998 1.00000 0.99997
1.00002 0.99995 1.00000 1.00001 1.00000
1.00000 0.99999 0.99999 1.00000 1.00002
1.00000 1.00003 0.99998 1.00001 1.00002
1.00002 1.00003 1.00002 0.99998 1.00002
1.00000 0.99997 1.00003 0.99999 1.00001
1.00000 0.99998 0.99999 1.00002 1.00002
1.00000 1.00001 1.00001 1.00002 0.99997
1.00001 1.00003 1.00000 1.00000 0.99999
0.99998 1.00004 0.99999 1.00002 1.00002
1.00002 1.00000 1.00000 1.00001 1.00002
1.00002 1.00001 0.99997 1.00000 1.00000
0.99999 1.00000 0.99996 1.00000 1.00001
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 48888 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00001 1.00000 1.00000
1.00000 0.99998 1.00001 0.99999 0.99996
0.99998 0.99998 1.00000 1.00002 0.99998
1.00002 0.99998 0.99999 0.99995 1.00001
1.00000 1.00006 0.99998 0.99999 1.00001
1.00001 1.00001 0.99999 0.99999 1.00000
1.00002 0.99997 0.99999 1.00002 1.00002
0.99999 0.99999 1.00000 0.99999 0.99995
1.00004 1.00001 0.99998 1.00000 0.99997
1.00002 0.99995 1.00000 1.00001 1.00000
1.00000 0.99999 0.99999 1.00000 1.00002
1.00000 1.00003 0.99998 1.00001 1.00002
1.00002 1.00003 1.00002 0.99998 1.00002
1.00000 0.99997 1.00003 0.99999 1.00001
1.00000 0.99998 0.99999 1.00002 1.00002
1.00000 1.00001 1.00001 1.00002 0.99997
1.00001 1.00003 1.00000 1.00000 0.99999
0.99998 1.00004 0.99999 1.00002 1.00002
1.00002 1.00000 1.00000 1.00001 1.00002
1.00002 1.00001 0.99997 1.00000 1.00000
0.99999 1.00000 0.99996 1.00000 1.00001
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4:-0.000 0.000 0.000
Vector 5: 0.000 0.000-0.000-0.000
Vector 6: 0.000 0.000 0.000-0.000 0.000
Vector 7: 0.000-0.000-0.000 0.000 0.000 0.000
Vector 8: 0.000 0.000 0.000-0.000 0.000 0.000-0.000
Vector 9: 0.000-0.000-0.000-0.000 0.000-0.000-0.000 0.000
Vector 10: 0.000 0.000-0.000-0.000 0.000 0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2401212258102128193.eigenfacs
Openam> file on opening on unit 10:
2401212258102128193.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401212258102128193.atom
Openam> file on opening on unit 11:
2401212258102128193.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 177
First residue number = 1
Last residue number = 177
Number of atoms found = 2716
Mean number per residue = 15.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9934E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9956E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9982E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9989E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0032E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.802
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.313
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.562
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 11.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 17.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 20.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 23.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 24.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 27.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 29.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 33.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 36.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 38.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 41.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 42.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 43.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 44.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 48.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 50.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 51.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 52.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 53.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 55.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 57.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 59.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 62.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 64.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 65.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 67.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 69.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 70.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 73.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 74.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 78.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 78.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 86.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 89.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 89.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 91.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 93.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 95.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 96.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 96.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 99.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 99.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 101.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 103.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 105.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 105.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 108.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 110.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 111.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 112.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 113.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 114.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 116.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 117.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 119.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 122.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 125.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 126.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 128.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 129.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 129.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 131.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 131.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 135.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 137.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 138.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 140.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 140.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 144.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 145.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 147.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 149.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 150.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 151.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 152.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 154.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 155.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 157.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 158.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 159.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 161.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 163.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 166.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 166.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 167.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 168.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 169.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 169.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 170.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 172.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 174.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 174.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 176.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 177.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 179.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 179.8
Bfactors> 106 vectors, 8148 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.802000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= -0.571 for 177 C-alpha atoms.
Bfactors> = 0.011 +/- 0.05
Bfactors> = 85.511 +/- 12.15
Bfactors> Shiftng-fct= 85.499
Bfactors> Scaling-fct= 224.675
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401212258102128193 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=0
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=100
2401212258102128193.eigenfacs
2401212258102128193.atom
making animated gifs
11 models are in 2401212258102128193.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2401212258102128193 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=0
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=100
2401212258102128193.eigenfacs
2401212258102128193.atom
making animated gifs
11 models are in 2401212258102128193.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2401212258102128193 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=0
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=100
2401212258102128193.eigenfacs
2401212258102128193.atom
making animated gifs
11 models are in 2401212258102128193.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2401212258102128193 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=0
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=100
2401212258102128193.eigenfacs
2401212258102128193.atom
making animated gifs
11 models are in 2401212258102128193.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2401212258102128193 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=-20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=0
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=20
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=40
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=60
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=80
2401212258102128193.eigenfacs
2401212258102128193.atom
calculating perturbed structure for DQ=100
2401212258102128193.eigenfacs
2401212258102128193.atom
making animated gifs
11 models are in 2401212258102128193.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2401212258102128193.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2401212258102128193.10.pdb
2401212258102128193.11.pdb
2401212258102128193.7.pdb
2401212258102128193.8.pdb
2401212258102128193.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m19.386s
user 0m19.321s
sys 0m0.064s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2401212258102128193.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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