*** ***
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 = 2402011604201196084.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 2402011604201196084.atom to be opened.
Openam> File opened: 2402011604201196084.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 = 1395
First residue number = 12
Last residue number = 1882
Number of atoms found = 11211
Mean number per residue = 8.0
Pdbmat> Coordinate statistics:
= 116.686855 +/- 24.094159 From: 58.282000 To: 185.009000
= 112.175800 +/- 23.763297 From: 50.285000 To: 177.496000
= 113.259442 +/- 24.292122 From: 50.973000 To: 185.399000
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 0.6406 % Filled.
Pdbmat> 3623069 non-zero elements.
Pdbmat> 395157 atom-atom interactions.
Pdbmat> Number per atom= 70.49 +/- 17.93
Maximum number = 116
Minimum number = 9
Pdbmat> Matrix trace = 7.903140E+06
Pdbmat> Larger element = 478.123
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
1395 non-zero elements, NRBL set to 7
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 = 2402011604201196084.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 7
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 2402011604201196084.atom to be opened.
Openam> file on opening on unit 11:
2402011604201196084.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 11211 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 7 residue(s) per block.
Blocpdb> 1395 residues.
Blocpdb> 68 atoms in block 1
Block first atom: 1
Blocpdb> 50 atoms in block 2
Block first atom: 69
Blocpdb> 60 atoms in block 3
Block first atom: 119
Blocpdb> 33 atoms in block 4
Block first atom: 179
Blocpdb> 57 atoms in block 5
Block first atom: 212
Blocpdb> 53 atoms in block 6
Block first atom: 269
Blocpdb> 56 atoms in block 7
Block first atom: 322
Blocpdb> 56 atoms in block 8
Block first atom: 378
Blocpdb> 53 atoms in block 9
Block first atom: 434
Blocpdb> 60 atoms in block 10
Block first atom: 487
Blocpdb> 58 atoms in block 11
Block first atom: 547
Blocpdb> 59 atoms in block 12
Block first atom: 605
Blocpdb> 50 atoms in block 13
Block first atom: 664
Blocpdb> 61 atoms in block 14
Block first atom: 714
Blocpdb> 54 atoms in block 15
Block first atom: 775
Blocpdb> 56 atoms in block 16
Block first atom: 829
Blocpdb> 57 atoms in block 17
Block first atom: 885
Blocpdb> 51 atoms in block 18
Block first atom: 942
Blocpdb> 58 atoms in block 19
Block first atom: 993
Blocpdb> 63 atoms in block 20
Block first atom: 1051
Blocpdb> 59 atoms in block 21
Block first atom: 1114
Blocpdb> 60 atoms in block 22
Block first atom: 1173
Blocpdb> 56 atoms in block 23
Block first atom: 1233
Blocpdb> 58 atoms in block 24
Block first atom: 1289
Blocpdb> 70 atoms in block 25
Block first atom: 1347
Blocpdb> 56 atoms in block 26
Block first atom: 1417
Blocpdb> 59 atoms in block 27
Block first atom: 1473
Blocpdb> 48 atoms in block 28
Block first atom: 1532
Blocpdb> 60 atoms in block 29
Block first atom: 1580
Blocpdb> 56 atoms in block 30
Block first atom: 1640
Blocpdb> 48 atoms in block 31
Block first atom: 1696
Blocpdb> 47 atoms in block 32
Block first atom: 1744
Blocpdb> 53 atoms in block 33
Block first atom: 1791
Blocpdb> 52 atoms in block 34
Block first atom: 1844
Blocpdb> 54 atoms in block 35
Block first atom: 1896
Blocpdb> 56 atoms in block 36
Block first atom: 1950
Blocpdb> 58 atoms in block 37
Block first atom: 2006
Blocpdb> 55 atoms in block 38
Block first atom: 2064
Blocpdb> 45 atoms in block 39
Block first atom: 2119
Blocpdb> 48 atoms in block 40
Block first atom: 2164
Blocpdb> 65 atoms in block 41
Block first atom: 2212
Blocpdb> 58 atoms in block 42
Block first atom: 2277
Blocpdb> 50 atoms in block 43
Block first atom: 2335
Blocpdb> 49 atoms in block 44
Block first atom: 2385
Blocpdb> 42 atoms in block 45
Block first atom: 2434
Blocpdb> 57 atoms in block 46
Block first atom: 2476
Blocpdb> 50 atoms in block 47
Block first atom: 2533
Blocpdb> 58 atoms in block 48
Block first atom: 2583
Blocpdb> 60 atoms in block 49
Block first atom: 2641
Blocpdb> 58 atoms in block 50
Block first atom: 2701
Blocpdb> 65 atoms in block 51
Block first atom: 2759
Blocpdb> 62 atoms in block 52
Block first atom: 2824
Blocpdb> 54 atoms in block 53
Block first atom: 2886
Blocpdb> 64 atoms in block 54
Block first atom: 2940
Blocpdb> 56 atoms in block 55
Block first atom: 3004
Blocpdb> 51 atoms in block 56
Block first atom: 3060
Blocpdb> 57 atoms in block 57
Block first atom: 3111
Blocpdb> 51 atoms in block 58
Block first atom: 3168
Blocpdb> 63 atoms in block 59
Block first atom: 3219
Blocpdb> 59 atoms in block 60
Block first atom: 3282
Blocpdb> 64 atoms in block 61
Block first atom: 3341
Blocpdb> 58 atoms in block 62
Block first atom: 3405
Blocpdb> 62 atoms in block 63
Block first atom: 3463
Blocpdb> 50 atoms in block 64
Block first atom: 3525
Blocpdb> 56 atoms in block 65
Block first atom: 3575
Blocpdb> 52 atoms in block 66
Block first atom: 3631
Blocpdb> 55 atoms in block 67
Block first atom: 3683
Blocpdb> 60 atoms in block 68
Block first atom: 3738
Blocpdb> 63 atoms in block 69
Block first atom: 3798
Blocpdb> 52 atoms in block 70
Block first atom: 3861
Blocpdb> 52 atoms in block 71
Block first atom: 3913
Blocpdb> 56 atoms in block 72
Block first atom: 3965
Blocpdb> 71 atoms in block 73
Block first atom: 4021
Blocpdb> 62 atoms in block 74
Block first atom: 4092
Blocpdb> 51 atoms in block 75
Block first atom: 4154
Blocpdb> 51 atoms in block 76
Block first atom: 4205
Blocpdb> 54 atoms in block 77
Block first atom: 4256
Blocpdb> 63 atoms in block 78
Block first atom: 4310
Blocpdb> 60 atoms in block 79
Block first atom: 4373
Blocpdb> 57 atoms in block 80
Block first atom: 4433
Blocpdb> 53 atoms in block 81
Block first atom: 4490
Blocpdb> 42 atoms in block 82
Block first atom: 4543
Blocpdb> 51 atoms in block 83
Block first atom: 4585
Blocpdb> 57 atoms in block 84
Block first atom: 4636
Blocpdb> 51 atoms in block 85
Block first atom: 4693
Blocpdb> 63 atoms in block 86
Block first atom: 4744
Blocpdb> 48 atoms in block 87
Block first atom: 4807
Blocpdb> 66 atoms in block 88
Block first atom: 4855
Blocpdb> 64 atoms in block 89
Block first atom: 4921
Blocpdb> 56 atoms in block 90
Block first atom: 4985
Blocpdb> 69 atoms in block 91
Block first atom: 5041
Blocpdb> 48 atoms in block 92
Block first atom: 5110
Blocpdb> 52 atoms in block 93
Block first atom: 5158
Blocpdb> 57 atoms in block 94
Block first atom: 5210
Blocpdb> 50 atoms in block 95
Block first atom: 5267
Blocpdb> 56 atoms in block 96
Block first atom: 5317
Blocpdb> 29 atoms in block 97
Block first atom: 5373
Blocpdb> 58 atoms in block 98
Block first atom: 5402
Blocpdb> 55 atoms in block 99
Block first atom: 5460
Blocpdb> 45 atoms in block 100
Block first atom: 5515
Blocpdb> 48 atoms in block 101
Block first atom: 5560
Blocpdb> 74 atoms in block 102
Block first atom: 5608
Blocpdb> 59 atoms in block 103
Block first atom: 5682
Blocpdb> 68 atoms in block 104
Block first atom: 5741
Blocpdb> 59 atoms in block 105
Block first atom: 5809
Blocpdb> 45 atoms in block 106
Block first atom: 5868
Blocpdb> 63 atoms in block 107
Block first atom: 5913
Blocpdb> 59 atoms in block 108
Block first atom: 5976
Blocpdb> 59 atoms in block 109
Block first atom: 6035
Blocpdb> 63 atoms in block 110
Block first atom: 6094
Blocpdb> 63 atoms in block 111
Block first atom: 6157
Blocpdb> 62 atoms in block 112
Block first atom: 6220
Blocpdb> 65 atoms in block 113
Block first atom: 6282
Blocpdb> 58 atoms in block 114
Block first atom: 6347
Blocpdb> 49 atoms in block 115
Block first atom: 6405
Blocpdb> 48 atoms in block 116
Block first atom: 6454
Blocpdb> 51 atoms in block 117
Block first atom: 6502
Blocpdb> 58 atoms in block 118
Block first atom: 6553
Blocpdb> 56 atoms in block 119
Block first atom: 6611
Blocpdb> 61 atoms in block 120
Block first atom: 6667
Blocpdb> 46 atoms in block 121
Block first atom: 6728
Blocpdb> 50 atoms in block 122
Block first atom: 6774
Blocpdb> 52 atoms in block 123
Block first atom: 6824
Blocpdb> 66 atoms in block 124
Block first atom: 6876
Blocpdb> 51 atoms in block 125
Block first atom: 6942
Blocpdb> 53 atoms in block 126
Block first atom: 6993
Blocpdb> 53 atoms in block 127
Block first atom: 7046
Blocpdb> 57 atoms in block 128
Block first atom: 7099
Blocpdb> 55 atoms in block 129
Block first atom: 7156
Blocpdb> 50 atoms in block 130
Block first atom: 7211
Blocpdb> 66 atoms in block 131
Block first atom: 7261
Blocpdb> 53 atoms in block 132
Block first atom: 7327
Blocpdb> 50 atoms in block 133
Block first atom: 7380
Blocpdb> 52 atoms in block 134
Block first atom: 7430
Blocpdb> 63 atoms in block 135
Block first atom: 7482
Blocpdb> 53 atoms in block 136
Block first atom: 7545
Blocpdb> 66 atoms in block 137
Block first atom: 7598
Blocpdb> 68 atoms in block 138
Block first atom: 7664
Blocpdb> 65 atoms in block 139
Block first atom: 7732
Blocpdb> 58 atoms in block 140
Block first atom: 7797
Blocpdb> 54 atoms in block 141
Block first atom: 7855
Blocpdb> 61 atoms in block 142
Block first atom: 7909
Blocpdb> 52 atoms in block 143
Block first atom: 7970
Blocpdb> 60 atoms in block 144
Block first atom: 8022
Blocpdb> 64 atoms in block 145
Block first atom: 8082
Blocpdb> 53 atoms in block 146
Block first atom: 8146
Blocpdb> 56 atoms in block 147
Block first atom: 8199
Blocpdb> 64 atoms in block 148
Block first atom: 8255
Blocpdb> 57 atoms in block 149
Block first atom: 8319
Blocpdb> 56 atoms in block 150
Block first atom: 8376
Blocpdb> 56 atoms in block 151
Block first atom: 8432
Blocpdb> 54 atoms in block 152
Block first atom: 8488
Blocpdb> 54 atoms in block 153
Block first atom: 8542
Blocpdb> 57 atoms in block 154
Block first atom: 8596
Blocpdb> 57 atoms in block 155
Block first atom: 8653
Blocpdb> 51 atoms in block 156
Block first atom: 8710
Blocpdb> 48 atoms in block 157
Block first atom: 8761
Blocpdb> 71 atoms in block 158
Block first atom: 8809
Blocpdb> 63 atoms in block 159
Block first atom: 8880
Blocpdb> 54 atoms in block 160
Block first atom: 8943
Blocpdb> 47 atoms in block 161
Block first atom: 8997
Blocpdb> 65 atoms in block 162
Block first atom: 9044
Blocpdb> 61 atoms in block 163
Block first atom: 9109
Blocpdb> 58 atoms in block 164
Block first atom: 9170
Blocpdb> 58 atoms in block 165
Block first atom: 9228
Blocpdb> 52 atoms in block 166
Block first atom: 9286
Blocpdb> 55 atoms in block 167
Block first atom: 9338
Blocpdb> 53 atoms in block 168
Block first atom: 9393
Blocpdb> 55 atoms in block 169
Block first atom: 9446
Blocpdb> 60 atoms in block 170
Block first atom: 9501
Blocpdb> 55 atoms in block 171
Block first atom: 9561
Blocpdb> 61 atoms in block 172
Block first atom: 9616
Blocpdb> 55 atoms in block 173
Block first atom: 9677
Blocpdb> 57 atoms in block 174
Block first atom: 9732
Blocpdb> 58 atoms in block 175
Block first atom: 9789
Blocpdb> 51 atoms in block 176
Block first atom: 9847
Blocpdb> 49 atoms in block 177
Block first atom: 9898
Blocpdb> 51 atoms in block 178
Block first atom: 9947
Blocpdb> 51 atoms in block 179
Block first atom: 9998
Blocpdb> 47 atoms in block 180
Block first atom: 10049
Blocpdb> 41 atoms in block 181
Block first atom: 10096
Blocpdb> 64 atoms in block 182
Block first atom: 10137
Blocpdb> 56 atoms in block 183
Block first atom: 10201
Blocpdb> 56 atoms in block 184
Block first atom: 10257
Blocpdb> 57 atoms in block 185
Block first atom: 10313
Blocpdb> 52 atoms in block 186
Block first atom: 10370
Blocpdb> 57 atoms in block 187
Block first atom: 10422
Blocpdb> 70 atoms in block 188
Block first atom: 10479
Blocpdb> 58 atoms in block 189
Block first atom: 10549
Blocpdb> 62 atoms in block 190
Block first atom: 10607
Blocpdb> 53 atoms in block 191
Block first atom: 10669
Blocpdb> 54 atoms in block 192
Block first atom: 10722
Blocpdb> 54 atoms in block 193
Block first atom: 10776
Blocpdb> 54 atoms in block 194
Block first atom: 10830
Blocpdb> 51 atoms in block 195
Block first atom: 10884
Blocpdb> 56 atoms in block 196
Block first atom: 10935
Blocpdb> 61 atoms in block 197
Block first atom: 10991
Blocpdb> 48 atoms in block 198
Block first atom: 11052
Blocpdb> 55 atoms in block 199
Block first atom: 11100
Blocpdb> 57 atoms in block 200
Block first atom: 11154
Blocpdb> 200 blocks.
Blocpdb> At most, 74 atoms in each of them.
Blocpdb> At least, 29 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> 3623269 matrix lines read.
Prepmat> Matrix order = 33633
Prepmat> Matrix trace = 7903140.0000
Prepmat> Last element read: 33633 33633 102.3783
Prepmat> 20101 lines saved.
Prepmat> 18895 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: 11211
RTB> Total mass = 11211.0000
RTB> Number of atoms found in matrix: 11211
RTB> Number of blocks = 200
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 148797.2153
RTB> 40380 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 = 1200
Diagstd> Nb of non-zero elements: 40380
Diagstd> Projected matrix trace = 148797.2153
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1200 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 148797.2153
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 0.0195762 0.0723243 0.1007224 0.1334139
0.1722190 0.1878460 0.2004125 0.2421624 0.2788821
0.3500548 0.3907315 0.4759846 0.5509600 0.6469722
0.6945437 0.7863196 0.8095416 0.8835222 0.9197085
1.0523326 1.1632359 1.2286011 1.2507306 1.3465582
1.4160472 1.4730947 1.6075867 1.8262475 2.0088062
2.0688135 2.2190477 2.3304553 2.4419725 2.5852560
2.6502786 2.8801757 2.9933407 3.0541820 3.1583709
3.2759142 3.5676814 3.6364870 3.8284546 3.8977097
4.0323989 4.1561826 4.2205189 4.3636218 4.4169688
4.5655467 4.8542625 5.0049554 5.1275387 5.1942395
5.4430320 5.4736319 5.6057778 5.7033226 5.7543956
6.0913712 6.3476016 6.5054627 6.6370853 6.8823455
7.0278487 7.1167731 7.3618507 7.4636580 7.5349507
7.7966454 7.8632758 7.9296833 8.2936711 8.4526240
8.5626357 8.7481737 8.9165816 9.0554384 9.3597686
9.5247573 9.7605999 9.9807847 10.2207359 10.3255301
10.6417134 10.9092230 11.0858053 11.3878731 11.5278749
11.6923715 11.8630560 11.9277767 12.1800917 12.2306516
12.3433880 12.7742439 12.9038315 13.2178500 13.4381864
13.5299684
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034324 0.0034337 0.0034339 0.0034341 0.0034342
0.0034344 15.1935709 29.2036627 34.4634149 39.6639419
45.0646300 47.0648088 48.6135847 53.4378084 57.3463238
64.2485440 67.8788535 74.9189585 80.6037631 87.3450083
90.4992661 96.2930271 97.7045682 102.0713858 104.1406740
111.3965646 117.1194913 120.3651393 121.4443083 126.0108208
129.2213125 131.7985458 137.6836865 146.7489832 153.9091024
156.1909787 161.7627798 165.7737151 169.6936786 174.6011347
176.7832208 184.2912734 187.8768877 189.7766332 192.9864627
196.5447911 205.1106985 207.0791143 212.4746043 214.3877790
218.0605109 221.3821448 223.0890260 226.8395785 228.2219683
232.0286824 239.2527345 242.9379622 245.8950314 247.4892068
253.3469758 254.0581156 257.1065978 259.3338740 260.4924488
268.0111190 273.5899322 276.9710488 279.7589444 284.8810198
287.8766773 289.6922263 294.6380164 296.6683020 298.0818192
303.2139447 304.5068268 305.7899462 312.7293799 315.7119750
317.7598439 321.1840573 324.2608178 326.7759016 332.2215778
335.1368933 339.2606857 343.0659570 347.1653432 348.9405637
354.2428233 358.6676365 361.5587723 366.4515725 368.6972585
371.3184966 374.0189195 375.0377894 378.9837246 379.7694960
381.5157490 388.1171939 390.0808421 394.7986781 398.0756482
399.4327510
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 11211
Rtb_to_modes> Number of blocs = 200
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: 9.9908E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9983E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.9576E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.2324E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1007
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1334
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1722
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.1878
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2004
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2422
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.2789
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.3501
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.3907
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.4760
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.5510
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.6470
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.6945
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.7863
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.8095
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.8835
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.9197
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.052
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.163
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.229
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.251
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.347
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.416
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.473
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.608
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.826
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.009
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.069
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.219
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.330
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.442
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.585
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.650
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.880
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.993
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.054
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3.158
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.276
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.568
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.636
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.828
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.898
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 4.032
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 4.156
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 4.221
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 4.364
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 4.417
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4.566
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.854
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 5.005
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 5.128
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 5.194
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 5.443
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 5.474
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 5.606
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.703
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.754
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 6.091
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 6.348
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 6.505
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.637
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 6.882
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 7.028
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 7.117
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 7.362
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 7.464
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 7.535
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 7.797
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 7.863
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 7.930
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 8.294
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 8.453
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 8.563
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 8.748
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 8.917
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 9.055
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 9.360
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 9.525
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 9.761
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 9.981
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 10.22
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 10.33
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 10.64
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 10.91
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 11.09
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 11.39
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 11.53
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 11.69
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 11.86
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 11.93
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 12.18
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 12.23
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 12.34
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 12.77
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 12.90
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 13.22
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 13.44
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 13.53
Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 0.99999 1.00000 1.00000 1.00000
1.00000 1.00002 0.99999 0.99997 0.99999
1.00002 1.00002 0.99997 1.00001 0.99999
1.00000 1.00002 1.00003 1.00001 0.99998
0.99998 1.00001 0.99996 1.00001 0.99998
1.00000 0.99997 1.00001 1.00000 0.99999
1.00002 1.00001 0.99998 1.00000 1.00001
1.00000 1.00005 1.00001 0.99998 1.00000
1.00000 0.99999 1.00000 1.00001 1.00001
0.99999 1.00003 1.00002 0.99997 1.00000
0.99997 0.99999 1.00002 1.00000 1.00001
1.00001 1.00001 1.00000 0.99999 1.00000
0.99999 1.00002 0.99999 1.00000 0.99999
0.99998 0.99999 1.00000 1.00000 0.99999
1.00002 1.00000 1.00000 1.00001 0.99996
0.99999 0.99999 0.99999 1.00001 0.99999
1.00001 0.99999 1.00001 1.00000 0.99998
1.00002 0.99999 1.00001 1.00002 1.00000
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 1.00002 0.99997 0.99997 0.99999
1.00001 0.99999 1.00000 1.00001 0.99998
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 201798 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 0.99999 1.00000 1.00000 1.00000
1.00000 1.00002 0.99999 0.99997 0.99999
1.00002 1.00002 0.99997 1.00001 0.99999
1.00000 1.00002 1.00003 1.00001 0.99998
0.99998 1.00001 0.99996 1.00001 0.99998
1.00000 0.99997 1.00001 1.00000 0.99999
1.00002 1.00001 0.99998 1.00000 1.00001
1.00000 1.00005 1.00001 0.99998 1.00000
1.00000 0.99999 1.00000 1.00001 1.00001
0.99999 1.00003 1.00002 0.99997 1.00000
0.99997 0.99999 1.00002 1.00000 1.00001
1.00001 1.00001 1.00000 0.99999 1.00000
0.99999 1.00002 0.99999 1.00000 0.99999
0.99998 0.99999 1.00000 1.00000 0.99999
1.00002 1.00000 1.00000 1.00001 0.99996
0.99999 0.99999 0.99999 1.00001 0.99999
1.00001 0.99999 1.00001 1.00000 0.99998
1.00002 0.99999 1.00001 1.00002 1.00000
0.99999 1.00001 1.00000 1.00000 1.00000
1.00001 1.00002 0.99997 0.99997 0.99999
1.00001 0.99999 1.00000 1.00001 0.99998
1.00000
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> 2402011604201196084.eigenfacs
Openam> file on opening on unit 10:
2402011604201196084.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402011604201196084.atom
Openam> file on opening on unit 11:
2402011604201196084.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 = 1395
First residue number = 12
Last residue number = 1882
Number of atoms found = 11211
Mean number per residue = 8.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9908E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9983E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.9576E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.2324E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1007
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1334
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1722
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1878
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2004
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2422
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2789
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3501
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4760
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6470
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6945
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8095
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8835
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9197
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.052
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.163
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.229
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.251
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.347
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.473
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.608
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.826
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.009
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.219
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.330
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.442
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.585
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.650
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.880
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.993
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.276
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.568
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.636
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.828
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 4.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 4.156
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 4.221
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 4.364
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 4.417
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4.566
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.854
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 5.005
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 5.128
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 5.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 5.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 5.474
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 5.606
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.703
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.754
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 6.091
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 6.348
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 6.505
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.637
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 6.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 7.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 7.117
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 7.362
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 7.464
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 7.535
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 7.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 7.863
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 7.930
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 8.294
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 8.453
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 8.563
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 8.748
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 8.917
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 9.055
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 9.360
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 9.525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 9.761
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 9.981
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 10.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 10.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 10.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 10.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 11.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 11.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 11.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 11.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 11.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 11.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 12.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 12.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 12.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 12.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 13.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 13.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 13.53
Bfactors> 106 vectors, 33633 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 : 0.019576
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= 0.566 for 1395 C-alpha atoms.
Bfactors> = 0.193 +/- 0.36
Bfactors> = 74.626 +/- 20.87
Bfactors> Shiftng-fct= 74.433
Bfactors> Scaling-fct= 57.920
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402011604201196084 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=0
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=100
2402011604201196084.eigenfacs
2402011604201196084.atom
making animated gifs
11 models are in 2402011604201196084.7.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 2402011604201196084.7.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 2402011604201196084.7.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 2402011604201196084 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=0
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=100
2402011604201196084.eigenfacs
2402011604201196084.atom
making animated gifs
11 models are in 2402011604201196084.8.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 2402011604201196084.8.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 2402011604201196084.8.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 2402011604201196084 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=0
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=100
2402011604201196084.eigenfacs
2402011604201196084.atom
making animated gifs
11 models are in 2402011604201196084.9.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 2402011604201196084.9.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 2402011604201196084.9.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 2402011604201196084 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=0
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=100
2402011604201196084.eigenfacs
2402011604201196084.atom
making animated gifs
11 models are in 2402011604201196084.10.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 2402011604201196084.10.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 2402011604201196084.10.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 2402011604201196084 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=-20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=0
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=20
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=40
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=60
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=80
2402011604201196084.eigenfacs
2402011604201196084.atom
calculating perturbed structure for DQ=100
2402011604201196084.eigenfacs
2402011604201196084.atom
making animated gifs
11 models are in 2402011604201196084.11.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 2402011604201196084.11.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 2402011604201196084.11.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
2402011604201196084.10.pdb
2402011604201196084.11.pdb
2402011604201196084.7.pdb
2402011604201196084.8.pdb
2402011604201196084.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 1m2.837s
user 1m2.696s
sys 0m0.140s
../../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: 2402011604201196084.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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