*** 7DFR-alt ***
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 = 2404011458591857482.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 2404011458591857482.atom to be opened.
Openam> File opened: 2404011458591857482.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 = 159
First residue number = 1
Last residue number = 159
Number of atoms found = 2492
Mean number per residue = 15.7
Pdbmat> Coordinate statistics:
= 14.540452 +/- 8.301699 From: -7.007000 To: 32.731000
= 21.035066 +/- 7.127372 From: 3.649000 To: 40.477000
= 34.515435 +/- 10.558374 From: 10.190000 To: 58.074000
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 6.2601 % Filled.
Pdbmat> 1749650 non-zero elements.
Pdbmat> 192777 atom-atom interactions.
Pdbmat> Number per atom= 154.72 +/- 48.44
Maximum number = 251
Minimum number = 35
Pdbmat> Matrix trace = 3.855540E+06
Pdbmat> Larger element = 920.057
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
159 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 = 2404011458591857482.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 2404011458591857482.atom to be opened.
Openam> file on opening on unit 11:
2404011458591857482.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2492 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> 159 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 19 atoms in block 2
Block first atom: 20
Blocpdb> 11 atoms in block 3
Block first atom: 39
Blocpdb> 19 atoms in block 4
Block first atom: 50
Blocpdb> 19 atoms in block 5
Block first atom: 69
Blocpdb> 10 atoms in block 6
Block first atom: 88
Blocpdb> 10 atoms in block 7
Block first atom: 98
Blocpdb> 19 atoms in block 8
Block first atom: 108
Blocpdb> 10 atoms in block 9
Block first atom: 127
Blocpdb> 16 atoms in block 10
Block first atom: 137
Blocpdb> 12 atoms in block 11
Block first atom: 153
Blocpdb> 24 atoms in block 12
Block first atom: 165
Blocpdb> 16 atoms in block 13
Block first atom: 189
Blocpdb> 19 atoms in block 14
Block first atom: 205
Blocpdb> 7 atoms in block 15
Block first atom: 224
Blocpdb> 17 atoms in block 16
Block first atom: 231
Blocpdb> 15 atoms in block 17
Block first atom: 248
Blocpdb> 14 atoms in block 18
Block first atom: 263
Blocpdb> 10 atoms in block 19
Block first atom: 277
Blocpdb> 17 atoms in block 20
Block first atom: 287
Blocpdb> 14 atoms in block 21
Block first atom: 304
Blocpdb> 24 atoms in block 22
Block first atom: 318
Blocpdb> 14 atoms in block 23
Block first atom: 342
Blocpdb> 19 atoms in block 24
Block first atom: 356
Blocpdb> 14 atoms in block 25
Block first atom: 375
Blocpdb> 10 atoms in block 26
Block first atom: 389
Blocpdb> 12 atoms in block 27
Block first atom: 399
Blocpdb> 19 atoms in block 28
Block first atom: 411
Blocpdb> 10 atoms in block 29
Block first atom: 430
Blocpdb> 24 atoms in block 30
Block first atom: 440
Blocpdb> 20 atoms in block 31
Block first atom: 464
Blocpdb> 22 atoms in block 32
Block first atom: 484
Blocpdb> 24 atoms in block 33
Block first atom: 506
Blocpdb> 14 atoms in block 34
Block first atom: 530
Blocpdb> 14 atoms in block 35
Block first atom: 544
Blocpdb> 19 atoms in block 36
Block first atom: 558
Blocpdb> 12 atoms in block 37
Block first atom: 577
Blocpdb> 22 atoms in block 38
Block first atom: 589
Blocpdb> 14 atoms in block 39
Block first atom: 611
Blocpdb> 16 atoms in block 40
Block first atom: 625
Blocpdb> 19 atoms in block 41
Block first atom: 641
Blocpdb> 17 atoms in block 42
Block first atom: 660
Blocpdb> 7 atoms in block 43
Block first atom: 677
Blocpdb> 24 atoms in block 44
Block first atom: 684
Blocpdb> 17 atoms in block 45
Block first atom: 708
Blocpdb> 14 atoms in block 46
Block first atom: 725
Blocpdb> 24 atoms in block 47
Block first atom: 739
Blocpdb> 15 atoms in block 48
Block first atom: 763
Blocpdb> 11 atoms in block 49
Block first atom: 778
Blocpdb> 19 atoms in block 50
Block first atom: 789
Blocpdb> 7 atoms in block 51
Block first atom: 808
Blocpdb> 24 atoms in block 52
Block first atom: 815
Blocpdb> 14 atoms in block 53
Block first atom: 839
Blocpdb> 19 atoms in block 54
Block first atom: 853
Blocpdb> 14 atoms in block 55
Block first atom: 872
Blocpdb> 7 atoms in block 56
Block first atom: 886
Blocpdb> 24 atoms in block 57
Block first atom: 893
Blocpdb> 22 atoms in block 58
Block first atom: 917
Blocpdb> 14 atoms in block 59
Block first atom: 939
Blocpdb> 19 atoms in block 60
Block first atom: 953
Blocpdb> 19 atoms in block 61
Block first atom: 972
Blocpdb> 19 atoms in block 62
Block first atom: 991
Blocpdb> 11 atoms in block 63
Block first atom: 1010
Blocpdb> 11 atoms in block 64
Block first atom: 1021
Blocpdb> 17 atoms in block 65
Block first atom: 1032
Blocpdb> 14 atoms in block 66
Block first atom: 1049
Blocpdb> 7 atoms in block 67
Block first atom: 1063
Blocpdb> 14 atoms in block 68
Block first atom: 1070
Blocpdb> 12 atoms in block 69
Block first atom: 1084
Blocpdb> 12 atoms in block 70
Block first atom: 1096
Blocpdb> 24 atoms in block 71
Block first atom: 1108
Blocpdb> 16 atoms in block 72
Block first atom: 1132
Blocpdb> 14 atoms in block 73
Block first atom: 1148
Blocpdb> 24 atoms in block 74
Block first atom: 1162
Blocpdb> 16 atoms in block 75
Block first atom: 1186
Blocpdb> 22 atoms in block 76
Block first atom: 1202
Blocpdb> 11 atoms in block 77
Block first atom: 1224
Blocpdb> 16 atoms in block 78
Block first atom: 1235
Blocpdb> 12 atoms in block 79
Block first atom: 1251
Blocpdb> 15 atoms in block 80
Block first atom: 1263
Blocpdb> 10 atoms in block 81
Block first atom: 1278
Blocpdb> 19 atoms in block 82
Block first atom: 1288
Blocpdb> 10 atoms in block 83
Block first atom: 1307
Blocpdb> 10 atoms in block 84
Block first atom: 1317
Blocpdb> 11 atoms in block 85
Block first atom: 1327
Blocpdb> 7 atoms in block 86
Block first atom: 1338
Blocpdb> 12 atoms in block 87
Block first atom: 1345
Blocpdb> 16 atoms in block 88
Block first atom: 1357
Blocpdb> 14 atoms in block 89
Block first atom: 1373
Blocpdb> 15 atoms in block 90
Block first atom: 1387
Blocpdb> 19 atoms in block 91
Block first atom: 1402
Blocpdb> 17 atoms in block 92
Block first atom: 1421
Blocpdb> 16 atoms in block 93
Block first atom: 1438
Blocpdb> 19 atoms in block 94
Block first atom: 1454
Blocpdb> 7 atoms in block 95
Block first atom: 1473
Blocpdb> 7 atoms in block 96
Block first atom: 1480
Blocpdb> 7 atoms in block 97
Block first atom: 1487
Blocpdb> 24 atoms in block 98
Block first atom: 1494
Blocpdb> 16 atoms in block 99
Block first atom: 1518
Blocpdb> 21 atoms in block 100
Block first atom: 1534
Blocpdb> 15 atoms in block 101
Block first atom: 1555
Blocpdb> 17 atoms in block 102
Block first atom: 1570
Blocpdb> 20 atoms in block 103
Block first atom: 1587
Blocpdb> 19 atoms in block 104
Block first atom: 1607
Blocpdb> 14 atoms in block 105
Block first atom: 1626
Blocpdb> 22 atoms in block 106
Block first atom: 1640
Blocpdb> 10 atoms in block 107
Block first atom: 1662
Blocpdb> 17 atoms in block 108
Block first atom: 1672
Blocpdb> 22 atoms in block 109
Block first atom: 1689
Blocpdb> 19 atoms in block 110
Block first atom: 1711
Blocpdb> 21 atoms in block 111
Block first atom: 1730
Blocpdb> 19 atoms in block 112
Block first atom: 1751
Blocpdb> 14 atoms in block 113
Block first atom: 1770
Blocpdb> 18 atoms in block 114
Block first atom: 1784
Blocpdb> 19 atoms in block 115
Block first atom: 1802
Blocpdb> 12 atoms in block 116
Block first atom: 1821
Blocpdb> 10 atoms in block 117
Block first atom: 1833
Blocpdb> 15 atoms in block 118
Block first atom: 1843
Blocpdb> 16 atoms in block 119
Block first atom: 1858
Blocpdb> 15 atoms in block 120
Block first atom: 1874
Blocpdb> 7 atoms in block 121
Block first atom: 1889
Blocpdb> 12 atoms in block 122
Block first atom: 1896
Blocpdb> 14 atoms in block 123
Block first atom: 1908
Blocpdb> 18 atoms in block 124
Block first atom: 1922
Blocpdb> 20 atoms in block 125
Block first atom: 1940
Blocpdb> 14 atoms in block 126
Block first atom: 1960
Blocpdb> 12 atoms in block 127
Block first atom: 1974
Blocpdb> 21 atoms in block 128
Block first atom: 1986
Blocpdb> 15 atoms in block 129
Block first atom: 2007
Blocpdb> 14 atoms in block 130
Block first atom: 2022
Blocpdb> 12 atoms in block 131
Block first atom: 2036
Blocpdb> 12 atoms in block 132
Block first atom: 2048
Blocpdb> 24 atoms in block 133
Block first atom: 2060
Blocpdb> 15 atoms in block 134
Block first atom: 2084
Blocpdb> 11 atoms in block 135
Block first atom: 2099
Blocpdb> 16 atoms in block 136
Block first atom: 2110
Blocpdb> 20 atoms in block 137
Block first atom: 2126
Blocpdb> 11 atoms in block 138
Block first atom: 2146
Blocpdb> 15 atoms in block 139
Block first atom: 2157
Blocpdb> 20 atoms in block 140
Block first atom: 2172
Blocpdb> 18 atoms in block 141
Block first atom: 2192
Blocpdb> 12 atoms in block 142
Block first atom: 2210
Blocpdb> 10 atoms in block 143
Block first atom: 2222
Blocpdb> 12 atoms in block 144
Block first atom: 2232
Blocpdb> 10 atoms in block 145
Block first atom: 2244
Blocpdb> 17 atoms in block 146
Block first atom: 2254
Blocpdb> 14 atoms in block 147
Block first atom: 2271
Blocpdb> 11 atoms in block 148
Block first atom: 2285
Blocpdb> 17 atoms in block 149
Block first atom: 2296
Blocpdb> 11 atoms in block 150
Block first atom: 2313
Blocpdb> 21 atoms in block 151
Block first atom: 2324
Blocpdb> 11 atoms in block 152
Block first atom: 2345
Blocpdb> 20 atoms in block 153
Block first atom: 2356
Blocpdb> 15 atoms in block 154
Block first atom: 2376
Blocpdb> 19 atoms in block 155
Block first atom: 2391
Blocpdb> 19 atoms in block 156
Block first atom: 2410
Blocpdb> 15 atoms in block 157
Block first atom: 2429
Blocpdb> 24 atoms in block 158
Block first atom: 2444
Blocpdb> 25 atoms in block 159
Block first atom: 2467
Blocpdb> 159 blocks.
Blocpdb> At most, 25 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> 1749809 matrix lines read.
Prepmat> Matrix order = 7476
Prepmat> Matrix trace = 3855540.0000
Prepmat> Last element read: 7476 7476 337.7004
Prepmat> 12721 lines saved.
Prepmat> 10414 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: 2492
RTB> Total mass = 2492.0000
RTB> Number of atoms found in matrix: 2492
RTB> Number of blocks = 159
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 442224.3198
RTB> 80631 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 = 954
Diagstd> Nb of non-zero elements: 80631
Diagstd> Projected matrix trace = 442224.3198
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 954 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 442224.3198
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 9.5381254 12.8243131 15.7312034 19.5273317
21.4713018 22.0689785 27.1322376 30.3308039 32.7357420
33.5775952 37.0632270 40.9954596 42.1646385 44.7385614
49.1265180 51.0195154 52.4297993 54.6157242 56.1509791
59.1152177 59.9769553 61.1589993 62.7465381 64.2113284
65.9775705 71.0122057 72.3148340 74.6097097 76.6138704
79.0491511 79.5801101 81.2389725 84.0369387 86.8333007
90.9956541 93.1923040 94.0935242 95.5725302 96.3934220
99.4646520 101.9488228 102.9021074 105.3327569 107.1842021
108.9307007 110.9859390 112.9682778 113.8323147 116.3160672
118.2823750 120.1439893 121.8692190 123.4257649 124.9372936
128.4254396 129.4221809 130.5178839 132.4499997 133.9067464
135.0446974 135.6966306 138.8404503 140.6773047 140.7528628
142.4413107 144.0422221 145.8854721 147.5969099 148.3090874
150.3452531 152.6583335 154.5188749 155.1499743 156.4311118
157.3953086 159.6498700 161.1848557 162.4351647 164.5617885
165.0331372 166.2597697 169.3501011 169.5704956 172.0994978
174.8575953 176.1321600 177.0299520 178.7749724 179.3774739
180.2819336 181.7547656 182.5045516 183.6624122 184.3869588
186.7640276 187.2857217 188.1025239 189.8595513 190.1106877
191.8209764
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034300 0.0034305 0.0034310 0.0034343 0.0034362
0.0034385 335.3719953 388.8770709 430.7013704 479.8624115
503.1812715 510.1364977 565.6373596 598.0496506 621.3071834
629.2454368 661.0996012 695.2854803 705.1304527 726.3338556
761.1202412 775.6457995 786.2929428 802.5167924 813.7180452
834.9201204 840.9835251 849.2302697 860.1816329 870.1639914
882.0504785 915.0857267 923.4406261 937.9786544 950.4931290
965.4813421 968.7183984 978.7628825 995.4750787 1011.9019555
1035.8708355 1048.2993216 1053.3559377 1061.6022297 1066.1516400
1083.0030107 1096.4438299 1101.5581165 1114.4921294 1124.2442368
1133.3666496 1144.0085246 1154.1799728 1158.5854332 1171.1570446
1181.0146865 1190.2722385 1198.7877440 1206.4190709 1213.7837732
1230.6110509 1235.3773576 1240.5957592 1249.7445774 1256.5984199
1261.9264646 1264.9687951 1279.5382913 1287.9746040 1288.3204443
1296.0246476 1303.2873697 1311.5996822 1319.2706868 1322.4496974
1331.4968413 1341.7003676 1349.8516721 1352.6054538 1358.1784843
1362.3577666 1372.0804137 1378.6607061 1383.9975037 1393.0277876
1395.0213620 1400.1961127 1413.1491787 1414.0684252 1424.5742233
1435.9440918 1441.1680014 1444.8363390 1451.9399003 1454.3844824
1458.0465313 1463.9902476 1467.0068115 1471.6530074 1474.5529792
1484.0273188 1486.0985646 1489.3356720 1496.2752948 1497.2645657
1503.9843906
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2492
Rtb_to_modes> Number of blocs = 159
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: 9.9767E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9797E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9830E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0013E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0027E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 9.538
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 12.82
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 15.73
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 19.53
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 21.47
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 22.07
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 27.13
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 30.33
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 32.74
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 33.58
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 37.06
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 41.00
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 42.16
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 44.74
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 49.13
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 51.02
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 52.43
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 54.62
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 56.15
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 59.12
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 59.98
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 61.16
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 62.75
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 64.21
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 65.98
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 71.01
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 72.31
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 74.61
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 76.61
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 79.05
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 79.58
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 81.24
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 84.04
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 86.83
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 91.00
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 93.19
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 94.09
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 95.57
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 96.39
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 99.46
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 101.9
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 102.9
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 105.3
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 107.2
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 108.9
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 111.0
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 113.0
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 113.8
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 116.3
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 118.3
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 120.1
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 121.9
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 123.4
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 124.9
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 128.4
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 129.4
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 130.5
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 132.4
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 133.9
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 135.0
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 135.7
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 138.8
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 140.7
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 140.8
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 142.4
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 144.0
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 145.9
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 147.6
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 148.3
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 150.3
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 152.7
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 154.5
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 155.1
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 156.4
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 157.4
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 159.6
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 161.2
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 162.4
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 164.6
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 165.0
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 166.3
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 169.4
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 169.6
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 172.1
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 174.9
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 176.1
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 177.0
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 178.8
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 179.4
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 180.3
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 181.8
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 182.5
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 183.7
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 184.4
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 186.8
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 187.3
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 188.1
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 189.9
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 190.1
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 191.8
Rtb_to_modes> 106 vectors, with 954 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00001 1.00000 1.00001 1.00001
1.00001 1.00001 0.99998 1.00002 1.00001
1.00002 1.00002 0.99998 1.00002 1.00000
0.99999 0.99997 1.00000 1.00001 0.99998
1.00001 0.99999 1.00000 1.00002 1.00003
1.00004 0.99996 1.00001 0.99998 0.99999
0.99997 1.00000 1.00000 0.99999 0.99997
1.00001 1.00002 1.00001 0.99999 1.00001
1.00000 1.00000 0.99999 1.00001 0.99998
0.99999 1.00003 0.99999 1.00000 1.00001
0.99998 1.00001 1.00000 0.99997 1.00000
1.00001 0.99999 1.00002 1.00002 1.00000
0.99997 1.00004 1.00000 1.00002 1.00004
1.00001 0.99998 1.00000 1.00000 0.99999
0.99999 1.00003 0.99999 1.00001 1.00001
1.00001 1.00001 0.99999 0.99999 1.00001
1.00001 1.00000 1.00000 0.99999 0.99997
1.00000 1.00000 1.00003 0.99999 0.99998
1.00000 1.00000 1.00000 1.00002 1.00002
1.00000 0.99999 0.99999 0.99999 1.00000
0.99998 1.00002 0.99996 0.99998 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 44856 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00001 1.00000 1.00001 1.00001
1.00001 1.00001 0.99998 1.00002 1.00001
1.00002 1.00002 0.99998 1.00002 1.00000
0.99999 0.99997 1.00000 1.00001 0.99998
1.00001 0.99999 1.00000 1.00002 1.00003
1.00004 0.99996 1.00001 0.99998 0.99999
0.99997 1.00000 1.00000 0.99999 0.99997
1.00001 1.00002 1.00001 0.99999 1.00001
1.00000 1.00000 0.99999 1.00001 0.99998
0.99999 1.00003 0.99999 1.00000 1.00001
0.99998 1.00001 1.00000 0.99997 1.00000
1.00001 0.99999 1.00002 1.00002 1.00000
0.99997 1.00004 1.00000 1.00002 1.00004
1.00001 0.99998 1.00000 1.00000 0.99999
0.99999 1.00003 0.99999 1.00001 1.00001
1.00001 1.00001 0.99999 0.99999 1.00001
1.00001 1.00000 1.00000 0.99999 0.99997
1.00000 1.00000 1.00003 0.99999 0.99998
1.00000 1.00000 1.00000 1.00002 1.00002
1.00000 0.99999 0.99999 0.99999 1.00000
0.99998 1.00002 0.99996 0.99998 1.00001
0.99999
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> 2404011458591857482.eigenfacs
Openam> file on opening on unit 10:
2404011458591857482.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404011458591857482.atom
Openam> file on opening on unit 11:
2404011458591857482.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 = 159
First residue number = 1
Last residue number = 159
Number of atoms found = 2492
Mean number per residue = 15.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9767E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9797E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9830E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0013E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0027E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 9.538
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 12.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 15.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 19.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 21.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 22.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 27.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 30.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 32.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 33.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 37.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 41.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 42.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 44.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 49.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 51.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 52.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 54.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 56.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 59.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 59.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 61.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 62.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 64.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 65.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 71.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 72.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 74.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 76.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 79.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 79.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 81.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 84.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 86.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 91.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 93.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 94.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 95.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 96.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 99.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 101.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 102.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 105.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 107.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 108.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 111.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 113.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 113.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 116.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 118.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 120.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 121.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 123.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 124.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 128.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 129.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 130.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 132.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 133.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 135.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 135.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 138.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 140.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 140.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 142.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 144.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 145.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 147.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 148.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 150.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 152.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 154.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 155.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 156.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 157.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 159.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 161.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 162.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 164.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 165.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 166.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 169.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 169.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 172.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 174.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 176.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 177.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 178.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 179.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 180.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 181.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 182.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 183.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 184.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 186.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 187.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 188.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 189.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 190.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 191.8
Bfactors> 106 vectors, 7476 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 : 9.538000
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= 0.354 for 159 C-alpha atoms.
Bfactors> = 0.007 +/- 0.01
Bfactors> = 43.121 +/- 9.20
Bfactors> Shiftng-fct= 43.114
Bfactors> Scaling-fct= 1217.494
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404011458591857482 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=0
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=100
2404011458591857482.eigenfacs
2404011458591857482.atom
making animated gifs
11 models are in 2404011458591857482.7.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 2404011458591857482.7.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 2404011458591857482.7.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 2404011458591857482 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=0
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=100
2404011458591857482.eigenfacs
2404011458591857482.atom
making animated gifs
11 models are in 2404011458591857482.8.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 2404011458591857482.8.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 2404011458591857482.8.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 2404011458591857482 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=0
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=100
2404011458591857482.eigenfacs
2404011458591857482.atom
making animated gifs
11 models are in 2404011458591857482.9.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 2404011458591857482.9.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 2404011458591857482.9.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 2404011458591857482 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=0
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=100
2404011458591857482.eigenfacs
2404011458591857482.atom
making animated gifs
11 models are in 2404011458591857482.10.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 2404011458591857482.10.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 2404011458591857482.10.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 2404011458591857482 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=-20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=0
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=20
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=40
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=60
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=80
2404011458591857482.eigenfacs
2404011458591857482.atom
calculating perturbed structure for DQ=100
2404011458591857482.eigenfacs
2404011458591857482.atom
making animated gifs
11 models are in 2404011458591857482.11.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 2404011458591857482.11.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 2404011458591857482.11.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
2404011458591857482.10.pdb
2404011458591857482.11.pdb
2404011458591857482.7.pdb
2404011458591857482.8.pdb
2404011458591857482.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m14.306s
user 0m14.224s
sys 0m0.080s
../../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: 2404011458591857482.Chkmod.res: No such file or directory
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
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
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
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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