*** MOSMO ***
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 = 2401061459214110379.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 2401061459214110379.atom to be opened.
Openam> File opened: 2401061459214110379.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 = 167
First residue number = 1
Last residue number = 167
Number of atoms found = 1284
Mean number per residue = 7.7
Pdbmat> Coordinate statistics:
= 0.774136 +/- 7.092145 From: -19.276000 To: 21.150000
= -0.153206 +/- 6.153023 From: -17.842000 To: 14.973000
= 7.037504 +/- 15.994654 From: -24.960000 To: 41.033000
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 6.2740 % Filled.
Pdbmat> 465583 non-zero elements.
Pdbmat> 50881 atom-atom interactions.
Pdbmat> Number per atom= 79.25 +/- 24.54
Maximum number = 135
Minimum number = 8
Pdbmat> Matrix trace = 1.017620E+06
Pdbmat> Larger element = 513.269
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
167 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 = 2401061459214110379.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 2401061459214110379.atom to be opened.
Openam> file on opening on unit 11:
2401061459214110379.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1284 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> 167 residues.
Blocpdb> 8 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 9
Blocpdb> 9 atoms in block 3
Block first atom: 17
Blocpdb> 8 atoms in block 4
Block first atom: 26
Blocpdb> 7 atoms in block 5
Block first atom: 34
Blocpdb> 8 atoms in block 6
Block first atom: 41
Blocpdb> 8 atoms in block 7
Block first atom: 49
Blocpdb> 6 atoms in block 8
Block first atom: 57
Blocpdb> 4 atoms in block 9
Block first atom: 63
Blocpdb> 6 atoms in block 10
Block first atom: 67
Blocpdb> 8 atoms in block 11
Block first atom: 73
Blocpdb> 11 atoms in block 12
Block first atom: 81
Blocpdb> 8 atoms in block 13
Block first atom: 92
Blocpdb> 5 atoms in block 14
Block first atom: 100
Blocpdb> 5 atoms in block 15
Block first atom: 105
Blocpdb> 8 atoms in block 16
Block first atom: 110
Blocpdb> 8 atoms in block 17
Block first atom: 118
Blocpdb> 11 atoms in block 18
Block first atom: 126
Blocpdb> 5 atoms in block 19
Block first atom: 137
Blocpdb> 8 atoms in block 20
Block first atom: 142
Blocpdb> 5 atoms in block 21
Block first atom: 150
Blocpdb> 6 atoms in block 22
Block first atom: 155
Blocpdb> 8 atoms in block 23
Block first atom: 161
Blocpdb> 5 atoms in block 24
Block first atom: 169
Blocpdb> 8 atoms in block 25
Block first atom: 174
Blocpdb> 7 atoms in block 26
Block first atom: 182
Blocpdb> 8 atoms in block 27
Block first atom: 189
Blocpdb> 14 atoms in block 28
Block first atom: 197
Blocpdb> 8 atoms in block 29
Block first atom: 211
Blocpdb> 8 atoms in block 30
Block first atom: 219
Blocpdb> 7 atoms in block 31
Block first atom: 227
Blocpdb> 4 atoms in block 32
Block first atom: 234
Blocpdb> 9 atoms in block 33
Block first atom: 238
Blocpdb> 6 atoms in block 34
Block first atom: 247
Blocpdb> 5 atoms in block 35
Block first atom: 253
Blocpdb> 4 atoms in block 36
Block first atom: 258
Blocpdb> 5 atoms in block 37
Block first atom: 262
Blocpdb> 8 atoms in block 38
Block first atom: 267
Blocpdb> 7 atoms in block 39
Block first atom: 275
Blocpdb> 7 atoms in block 40
Block first atom: 282
Blocpdb> 4 atoms in block 41
Block first atom: 289
Blocpdb> 8 atoms in block 42
Block first atom: 293
Blocpdb> 7 atoms in block 43
Block first atom: 301
Blocpdb> 11 atoms in block 44
Block first atom: 308
Blocpdb> 9 atoms in block 45
Block first atom: 319
Blocpdb> 6 atoms in block 46
Block first atom: 328
Blocpdb> 9 atoms in block 47
Block first atom: 334
Blocpdb> 7 atoms in block 48
Block first atom: 343
Blocpdb> 8 atoms in block 49
Block first atom: 350
Blocpdb> 10 atoms in block 50
Block first atom: 358
Blocpdb> 4 atoms in block 51
Block first atom: 368
Blocpdb> 11 atoms in block 52
Block first atom: 372
Blocpdb> 8 atoms in block 53
Block first atom: 383
Blocpdb> 11 atoms in block 54
Block first atom: 391
Blocpdb> 7 atoms in block 55
Block first atom: 402
Blocpdb> 6 atoms in block 56
Block first atom: 409
Blocpdb> 8 atoms in block 57
Block first atom: 415
Blocpdb> 7 atoms in block 58
Block first atom: 423
Blocpdb> 7 atoms in block 59
Block first atom: 430
Blocpdb> 11 atoms in block 60
Block first atom: 437
Blocpdb> 8 atoms in block 61
Block first atom: 448
Blocpdb> 7 atoms in block 62
Block first atom: 456
Blocpdb> 7 atoms in block 63
Block first atom: 463
Blocpdb> 9 atoms in block 64
Block first atom: 470
Blocpdb> 14 atoms in block 65
Block first atom: 479
Blocpdb> 7 atoms in block 66
Block first atom: 493
Blocpdb> 7 atoms in block 67
Block first atom: 500
Blocpdb> 7 atoms in block 68
Block first atom: 507
Blocpdb> 8 atoms in block 69
Block first atom: 514
Blocpdb> 11 atoms in block 70
Block first atom: 522
Blocpdb> 11 atoms in block 71
Block first atom: 533
Blocpdb> 8 atoms in block 72
Block first atom: 544
Blocpdb> 8 atoms in block 73
Block first atom: 552
Blocpdb> 8 atoms in block 74
Block first atom: 560
Blocpdb> 4 atoms in block 75
Block first atom: 568
Blocpdb> 8 atoms in block 76
Block first atom: 572
Blocpdb> 8 atoms in block 77
Block first atom: 580
Blocpdb> 6 atoms in block 78
Block first atom: 588
Blocpdb> 8 atoms in block 79
Block first atom: 594
Blocpdb> 7 atoms in block 80
Block first atom: 602
Blocpdb> 7 atoms in block 81
Block first atom: 609
Blocpdb> 7 atoms in block 82
Block first atom: 616
Blocpdb> 6 atoms in block 83
Block first atom: 623
Blocpdb> 4 atoms in block 84
Block first atom: 629
Blocpdb> 8 atoms in block 85
Block first atom: 633
Blocpdb> 8 atoms in block 86
Block first atom: 641
Blocpdb> 7 atoms in block 87
Block first atom: 649
Blocpdb> 5 atoms in block 88
Block first atom: 656
Blocpdb> 6 atoms in block 89
Block first atom: 661
Blocpdb> 10 atoms in block 90
Block first atom: 667
Blocpdb> 14 atoms in block 91
Block first atom: 677
Blocpdb> 11 atoms in block 92
Block first atom: 691
Blocpdb> 11 atoms in block 93
Block first atom: 702
Blocpdb> 9 atoms in block 94
Block first atom: 713
Blocpdb> 5 atoms in block 95
Block first atom: 722
Blocpdb> 7 atoms in block 96
Block first atom: 727
Blocpdb> 9 atoms in block 97
Block first atom: 734
Blocpdb> 12 atoms in block 98
Block first atom: 743
Blocpdb> 5 atoms in block 99
Block first atom: 755
Blocpdb> 11 atoms in block 100
Block first atom: 760
Blocpdb> 14 atoms in block 101
Block first atom: 771
Blocpdb> 8 atoms in block 102
Block first atom: 785
Blocpdb> 5 atoms in block 103
Block first atom: 793
Blocpdb> 11 atoms in block 104
Block first atom: 798
Blocpdb> 7 atoms in block 105
Block first atom: 809
Blocpdb> 4 atoms in block 106
Block first atom: 816
Blocpdb> 8 atoms in block 107
Block first atom: 820
Blocpdb> 7 atoms in block 108
Block first atom: 828
Blocpdb> 8 atoms in block 109
Block first atom: 835
Blocpdb> 11 atoms in block 110
Block first atom: 843
Blocpdb> 6 atoms in block 111
Block first atom: 854
Blocpdb> 8 atoms in block 112
Block first atom: 860
Blocpdb> 5 atoms in block 113
Block first atom: 868
Blocpdb> 5 atoms in block 114
Block first atom: 873
Blocpdb> 8 atoms in block 115
Block first atom: 878
Blocpdb> 8 atoms in block 116
Block first atom: 886
Blocpdb> 11 atoms in block 117
Block first atom: 894
Blocpdb> 7 atoms in block 118
Block first atom: 905
Blocpdb> 8 atoms in block 119
Block first atom: 912
Blocpdb> 4 atoms in block 120
Block first atom: 920
Blocpdb> 11 atoms in block 121
Block first atom: 924
Blocpdb> 12 atoms in block 122
Block first atom: 935
Blocpdb> 8 atoms in block 123
Block first atom: 947
Blocpdb> 8 atoms in block 124
Block first atom: 955
Blocpdb> 9 atoms in block 125
Block first atom: 963
Blocpdb> 7 atoms in block 126
Block first atom: 972
Blocpdb> 4 atoms in block 127
Block first atom: 979
Blocpdb> 4 atoms in block 128
Block first atom: 983
Blocpdb> 9 atoms in block 129
Block first atom: 987
Blocpdb> 7 atoms in block 130
Block first atom: 996
Blocpdb> 12 atoms in block 131
Block first atom: 1003
Blocpdb> 9 atoms in block 132
Block first atom: 1015
Blocpdb> 8 atoms in block 133
Block first atom: 1024
Blocpdb> 7 atoms in block 134
Block first atom: 1032
Blocpdb> 8 atoms in block 135
Block first atom: 1039
Blocpdb> 8 atoms in block 136
Block first atom: 1047
Blocpdb> 7 atoms in block 137
Block first atom: 1055
Blocpdb> 7 atoms in block 138
Block first atom: 1062
Blocpdb> 7 atoms in block 139
Block first atom: 1069
Blocpdb> 4 atoms in block 140
Block first atom: 1076
Blocpdb> 6 atoms in block 141
Block first atom: 1080
Blocpdb> 6 atoms in block 142
Block first atom: 1086
Blocpdb> 12 atoms in block 143
Block first atom: 1092
Blocpdb> 7 atoms in block 144
Block first atom: 1104
Blocpdb> 8 atoms in block 145
Block first atom: 1111
Blocpdb> 11 atoms in block 146
Block first atom: 1119
Blocpdb> 7 atoms in block 147
Block first atom: 1130
Blocpdb> 8 atoms in block 148
Block first atom: 1137
Blocpdb> 6 atoms in block 149
Block first atom: 1145
Blocpdb> 8 atoms in block 150
Block first atom: 1151
Blocpdb> 11 atoms in block 151
Block first atom: 1159
Blocpdb> 11 atoms in block 152
Block first atom: 1170
Blocpdb> 7 atoms in block 153
Block first atom: 1181
Blocpdb> 8 atoms in block 154
Block first atom: 1188
Blocpdb> 7 atoms in block 155
Block first atom: 1196
Blocpdb> 4 atoms in block 156
Block first atom: 1203
Blocpdb> 8 atoms in block 157
Block first atom: 1207
Blocpdb> 8 atoms in block 158
Block first atom: 1215
Blocpdb> 11 atoms in block 159
Block first atom: 1223
Blocpdb> 5 atoms in block 160
Block first atom: 1234
Blocpdb> 4 atoms in block 161
Block first atom: 1239
Blocpdb> 9 atoms in block 162
Block first atom: 1243
Blocpdb> 7 atoms in block 163
Block first atom: 1252
Blocpdb> 6 atoms in block 164
Block first atom: 1259
Blocpdb> 8 atoms in block 165
Block first atom: 1265
Blocpdb> 7 atoms in block 166
Block first atom: 1273
Blocpdb> 5 atoms in block 167
Block first atom: 1279
Blocpdb> 167 blocks.
Blocpdb> At most, 14 atoms in each of them.
Blocpdb> At least, 4 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> 465750 matrix lines read.
Prepmat> Matrix order = 3852
Prepmat> Matrix trace = 1017620.0000
Prepmat> Last element read: 3852 3852 159.8466
Prepmat> 14029 lines saved.
Prepmat> 11892 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: 1284
RTB> Total mass = 1284.0000
RTB> Number of atoms found in matrix: 1284
RTB> Number of blocks = 167
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 243659.8927
RTB> 74391 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 = 1002
Diagstd> Nb of non-zero elements: 74391
Diagstd> Projected matrix trace = 243659.8927
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1002 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 243659.8927
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 1.4708757 1.6207878 2.2337740 3.6720927
4.4471804 6.2640701 7.1899961 7.7346654 8.4400862
9.1463068 10.4844392 11.7107755 11.8899097 12.9040039
13.2984343 14.0948515 15.7085526 16.3235377 17.4887683
18.4413485 18.6374740 20.3592179 20.8445851 22.6738491
23.9726720 26.1718296 26.3378204 26.9323641 28.5836773
29.8807234 30.4370457 30.7064525 31.9064263 33.3693257
34.9898656 36.2775068 37.0802734 37.4508686 38.3889144
39.6367022 40.3053646 40.4217328 42.0479891 42.3605506
42.7462913 43.9980803 46.4535412 46.8329070 47.5639502
47.6790784 48.3075097 48.8359910 50.5988702 51.3585785
51.5967045 52.9669280 53.5475665 53.8185595 54.9281391
55.2536561 56.3968029 56.7987569 57.7514958 58.4332283
59.7299711 60.6084628 61.1458679 62.0391456 62.2607033
63.3303672 63.6838058 64.4799576 64.9035266 65.2396509
66.2713225 66.8900052 67.4953973 68.3317346 68.5872488
69.8106442 70.1059388 72.6469175 73.3264122 73.6905157
75.1318066 75.6156559 75.8154020 76.3622482 77.7064970
77.8132111 78.6191428 79.5130430 81.3516366 82.5382957
82.7380545 82.9316773 83.4590310 84.1329489 84.9481892
85.4737004
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034327 0.0034327 0.0034338 0.0034344
0.0034358 131.6992380 138.2478395 162.2986445 208.0904268
229.0011443 271.7838121 291.1787036 302.0063303 315.4777411
328.4113544 351.6153952 371.6106127 374.4420014 390.0834488
396.0003188 407.6857506 430.3911830 438.7351437 454.1244581
466.3281343 468.8012978 489.9771477 495.7833164 517.0801983
531.6838908 555.5361470 557.2950633 563.5500844 580.5696520
593.5958197 599.0961496 601.7416921 613.3867102 627.2909116
642.3421444 654.0545881 661.2516126 664.5478049 672.8189206
683.6660867 689.4086168 690.4031174 704.1543974 706.7666986
709.9773609 720.2978927 740.1243512 743.1403421 748.9179467
749.8237745 754.7491026 758.8663278 772.4416629 778.2189067
780.0209407 790.3103561 794.6303525 796.6385433 804.8088125
807.1900323 815.4972906 818.3982572 825.2335934 830.0900740
839.2501596 845.3993604 849.1390964 855.3191278 856.8450486
864.1741741 866.5822417 871.9822646 874.8416037 877.1040060
884.0118749 888.1286804 892.1386594 897.6488998 899.3256318
907.3108473 909.2277561 925.5585048 929.8769838 932.1827846
941.2547834 944.2807626 945.5271448 948.9309973 957.2468504
957.9039171 962.8517687 968.3101125 979.4413328 986.5589228
987.7520336 988.9071226 992.0463176 996.0435697 1000.8577191
1003.9487273
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1284
Rtb_to_modes> Number of blocs = 167
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: 9.9870E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9925E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9927E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.471
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.621
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.234
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 3.672
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 4.447
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 6.264
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 7.190
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 7.735
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 8.440
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 9.146
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 10.48
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 11.71
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 11.89
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 12.90
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 13.30
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 14.09
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 15.71
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 16.32
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 17.49
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 18.44
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 18.64
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 20.36
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 20.84
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 22.67
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 23.97
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.17
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 26.34
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 26.93
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.58
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 29.88
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 30.44
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 30.71
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 31.91
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 33.37
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 34.99
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 36.28
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 37.08
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 37.45
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 38.39
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 39.64
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 40.31
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 40.42
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 42.05
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 42.36
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 42.75
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 44.00
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 46.45
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 46.83
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 47.56
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 47.68
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 48.31
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 48.84
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 50.60
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 51.36
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 51.60
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 52.97
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 53.55
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 53.82
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 54.93
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 55.25
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 56.40
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 56.80
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 57.75
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 58.43
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 59.73
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 60.61
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 61.15
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 62.04
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 62.26
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 63.33
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 63.68
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 64.48
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 64.90
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 65.24
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 66.27
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 66.89
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 67.50
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 68.33
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 68.59
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 69.81
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 70.11
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 72.65
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 73.33
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 73.69
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 75.13
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 75.62
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 75.82
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 76.36
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 77.71
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 77.81
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 78.62
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 79.51
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 81.35
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 82.54
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 82.74
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 82.93
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 83.46
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 84.13
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 84.95
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 85.47
Rtb_to_modes> 106 vectors, with 1002 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 0.99998 1.00000
1.00000 1.00001 1.00003 0.99999 1.00001
0.99996 1.00004 1.00004 1.00003 1.00003
1.00004 1.00002 1.00000 1.00000 1.00001
0.99998 1.00000 0.99998 1.00002 1.00002
1.00001 1.00000 0.99997 0.99998 1.00002
1.00000 1.00000 0.99999 0.99997 1.00003
1.00001 1.00000 1.00003 1.00001 1.00000
0.99999 1.00000 1.00000 1.00000 0.99997
0.99996 0.99999 1.00002 0.99997 1.00001
0.99997 1.00000 1.00003 0.99998 0.99999
1.00001 1.00000 0.99999 1.00000 1.00002
1.00001 0.99998 0.99999 0.99998 1.00000
0.99999 1.00002 1.00001 0.99999 1.00000
1.00000 0.99999 1.00000 1.00001 1.00000
1.00004 1.00002 1.00004 0.99996 0.99998
1.00001 0.99999 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 1.00000 1.00002 1.00003
0.99997 1.00002 1.00000 1.00000 1.00000
0.99999 0.99997 0.99999 0.99998 1.00000
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 23112 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 0.99998 1.00000
1.00000 1.00001 1.00003 0.99999 1.00001
0.99996 1.00004 1.00004 1.00003 1.00003
1.00004 1.00002 1.00000 1.00000 1.00001
0.99998 1.00000 0.99998 1.00002 1.00002
1.00001 1.00000 0.99997 0.99998 1.00002
1.00000 1.00000 0.99999 0.99997 1.00003
1.00001 1.00000 1.00003 1.00001 1.00000
0.99999 1.00000 1.00000 1.00000 0.99997
0.99996 0.99999 1.00002 0.99997 1.00001
0.99997 1.00000 1.00003 0.99998 0.99999
1.00001 1.00000 0.99999 1.00000 1.00002
1.00001 0.99998 0.99999 0.99998 1.00000
0.99999 1.00002 1.00001 0.99999 1.00000
1.00000 0.99999 1.00000 1.00001 1.00000
1.00004 1.00002 1.00004 0.99996 0.99998
1.00001 0.99999 1.00000 1.00000 1.00001
1.00000 0.99999 1.00000 1.00000 1.00001
1.00000 1.00000 1.00000 1.00002 1.00003
0.99997 1.00002 1.00000 1.00000 1.00000
0.99999 0.99997 0.99999 0.99998 1.00000
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> 2401061459214110379.eigenfacs
Openam> file on opening on unit 10:
2401061459214110379.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401061459214110379.atom
Openam> file on opening on unit 11:
2401061459214110379.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 = 167
First residue number = 1
Last residue number = 167
Number of atoms found = 1284
Mean number per residue = 7.7
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9870E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9925E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9927E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.471
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.621
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.234
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 3.672
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 4.447
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 6.264
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 7.190
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 7.735
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 8.440
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 9.146
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 10.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 11.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 11.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 12.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 13.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 14.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 15.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 16.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 17.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 18.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 18.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 20.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 20.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 22.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 23.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 26.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 26.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 29.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 30.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 30.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 31.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 33.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 34.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 36.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 37.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 37.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 38.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 39.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 40.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 40.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 42.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 42.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 42.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 44.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 46.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 46.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 47.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 47.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 48.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 48.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 50.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 51.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 51.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 52.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 53.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 53.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 54.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 55.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 56.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 56.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 57.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 58.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 59.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 60.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 61.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 62.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 62.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 63.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 63.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 64.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 64.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 65.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 66.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 66.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 67.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 68.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 68.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 69.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 70.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 72.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 73.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 73.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 75.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 75.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 75.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 76.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 77.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 77.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 78.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 79.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 81.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 82.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 82.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 82.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 83.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 84.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 84.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 85.47
Bfactors> 106 vectors, 3852 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 1.471000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.049 +/- 0.07
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.049
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401061459214110379 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=0
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=100
2401061459214110379.eigenfacs
2401061459214110379.atom
making animated gifs
11 models are in 2401061459214110379.7.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 2401061459214110379.7.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 2401061459214110379.7.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 2401061459214110379 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=0
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=100
2401061459214110379.eigenfacs
2401061459214110379.atom
making animated gifs
11 models are in 2401061459214110379.8.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 2401061459214110379.8.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 2401061459214110379.8.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 2401061459214110379 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=0
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=100
2401061459214110379.eigenfacs
2401061459214110379.atom
making animated gifs
11 models are in 2401061459214110379.9.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 2401061459214110379.9.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 2401061459214110379.9.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 2401061459214110379 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=0
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=100
2401061459214110379.eigenfacs
2401061459214110379.atom
making animated gifs
11 models are in 2401061459214110379.10.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 2401061459214110379.10.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 2401061459214110379.10.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 2401061459214110379 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=-20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=0
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=20
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=40
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=60
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=80
2401061459214110379.eigenfacs
2401061459214110379.atom
calculating perturbed structure for DQ=100
2401061459214110379.eigenfacs
2401061459214110379.atom
making animated gifs
11 models are in 2401061459214110379.11.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 2401061459214110379.11.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 2401061459214110379.11.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
2401061459214110379.10.pdb
2401061459214110379.11.pdb
2401061459214110379.7.pdb
2401061459214110379.8.pdb
2401061459214110379.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m14.023s
user 0m13.995s
sys 0m0.028s
../../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: 2401061459214110379.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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