*** ***
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 = 2403080132402185725.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 2403080132402185725.atom to be opened.
Openam> File opened: 2403080132402185725.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 = 740
First residue number = 30
Last residue number = 103
Number of atoms found = 10560
Mean number per residue = 14.3
Pdbmat> Coordinate statistics:
= 1.000000 +/- 34.056146 From: -63.769000 To: 65.769000
= 1.000000 +/- 13.884481 From: -38.929000 To: 40.929000
= -13.735501 +/- 7.151100 From: -28.190000 To: 1.241000
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 1.5068 % Filled.
Pdbmat> 7561694 non-zero elements.
Pdbmat> 840772 atom-atom interactions.
Pdbmat> Number per atom= 159.24 +/- 43.49
Maximum number = 252
Minimum number = 29
Pdbmat> Matrix trace = 1.681544E+07
Pdbmat> Larger element = 957.491
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
740 non-zero elements, NRBL set to 4
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 = 2403080132402185725.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 4
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 2403080132402185725.atom to be opened.
Openam> file on opening on unit 11:
2403080132402185725.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 10560 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 4 residue(s) per block.
Blocpdb> 740 residues.
Blocpdb> 52 atoms in block 1
Block first atom: 1
Blocpdb> 60 atoms in block 2
Block first atom: 53
Blocpdb> 63 atoms in block 3
Block first atom: 113
Blocpdb> 69 atoms in block 4
Block first atom: 176
Blocpdb> 54 atoms in block 5
Block first atom: 245
Blocpdb> 50 atoms in block 6
Block first atom: 299
Blocpdb> 55 atoms in block 7
Block first atom: 349
Blocpdb> 73 atoms in block 8
Block first atom: 404
Blocpdb> 61 atoms in block 9
Block first atom: 477
Blocpdb> 40 atoms in block 10
Block first atom: 538
Blocpdb> 53 atoms in block 11
Block first atom: 578
Blocpdb> 56 atoms in block 12
Block first atom: 631
Blocpdb> 63 atoms in block 13
Block first atom: 687
Blocpdb> 48 atoms in block 14
Block first atom: 750
Blocpdb> 47 atoms in block 15
Block first atom: 798
Blocpdb> 41 atoms in block 16
Block first atom: 845
Blocpdb> 80 atoms in block 17
Block first atom: 886
Blocpdb> 55 atoms in block 18
Block first atom: 966
Blocpdb> 36 atoms in block 19
Block first atom: 1021
Blocpdb> 52 atoms in block 20
Block first atom: 1057
Blocpdb> 60 atoms in block 21
Block first atom: 1109
Blocpdb> 63 atoms in block 22
Block first atom: 1169
Blocpdb> 69 atoms in block 23
Block first atom: 1232
Blocpdb> 54 atoms in block 24
Block first atom: 1301
Blocpdb> 50 atoms in block 25
Block first atom: 1355
Blocpdb> 55 atoms in block 26
Block first atom: 1405
Blocpdb> 73 atoms in block 27
Block first atom: 1460
Blocpdb> 61 atoms in block 28
Block first atom: 1533
Blocpdb> 40 atoms in block 29
Block first atom: 1594
Blocpdb> 53 atoms in block 30
Block first atom: 1634
Blocpdb> 56 atoms in block 31
Block first atom: 1687
Blocpdb> 63 atoms in block 32
Block first atom: 1743
Blocpdb> 48 atoms in block 33
Block first atom: 1806
Blocpdb> 47 atoms in block 34
Block first atom: 1854
Blocpdb> 41 atoms in block 35
Block first atom: 1901
Blocpdb> 80 atoms in block 36
Block first atom: 1942
Blocpdb> 55 atoms in block 37
Block first atom: 2022
Blocpdb> 36 atoms in block 38
Block first atom: 2077
Blocpdb> 52 atoms in block 39
Block first atom: 2113
Blocpdb> 60 atoms in block 40
Block first atom: 2165
Blocpdb> 63 atoms in block 41
Block first atom: 2225
Blocpdb> 69 atoms in block 42
Block first atom: 2288
Blocpdb> 54 atoms in block 43
Block first atom: 2357
Blocpdb> 50 atoms in block 44
Block first atom: 2411
Blocpdb> 55 atoms in block 45
Block first atom: 2461
Blocpdb> 73 atoms in block 46
Block first atom: 2516
Blocpdb> 61 atoms in block 47
Block first atom: 2589
Blocpdb> 40 atoms in block 48
Block first atom: 2650
Blocpdb> 53 atoms in block 49
Block first atom: 2690
Blocpdb> 56 atoms in block 50
Block first atom: 2743
Blocpdb> 63 atoms in block 51
Block first atom: 2799
Blocpdb> 48 atoms in block 52
Block first atom: 2862
Blocpdb> 47 atoms in block 53
Block first atom: 2910
Blocpdb> 41 atoms in block 54
Block first atom: 2957
Blocpdb> 80 atoms in block 55
Block first atom: 2998
Blocpdb> 55 atoms in block 56
Block first atom: 3078
Blocpdb> 36 atoms in block 57
Block first atom: 3133
Blocpdb> 52 atoms in block 58
Block first atom: 3169
Blocpdb> 60 atoms in block 59
Block first atom: 3221
Blocpdb> 63 atoms in block 60
Block first atom: 3281
Blocpdb> 69 atoms in block 61
Block first atom: 3344
Blocpdb> 54 atoms in block 62
Block first atom: 3413
Blocpdb> 50 atoms in block 63
Block first atom: 3467
Blocpdb> 55 atoms in block 64
Block first atom: 3517
Blocpdb> 73 atoms in block 65
Block first atom: 3572
Blocpdb> 61 atoms in block 66
Block first atom: 3645
Blocpdb> 40 atoms in block 67
Block first atom: 3706
Blocpdb> 53 atoms in block 68
Block first atom: 3746
Blocpdb> 56 atoms in block 69
Block first atom: 3799
Blocpdb> 63 atoms in block 70
Block first atom: 3855
Blocpdb> 48 atoms in block 71
Block first atom: 3918
Blocpdb> 47 atoms in block 72
Block first atom: 3966
Blocpdb> 41 atoms in block 73
Block first atom: 4013
Blocpdb> 80 atoms in block 74
Block first atom: 4054
Blocpdb> 55 atoms in block 75
Block first atom: 4134
Blocpdb> 36 atoms in block 76
Block first atom: 4189
Blocpdb> 52 atoms in block 77
Block first atom: 4225
Blocpdb> 60 atoms in block 78
Block first atom: 4277
Blocpdb> 63 atoms in block 79
Block first atom: 4337
Blocpdb> 69 atoms in block 80
Block first atom: 4400
Blocpdb> 54 atoms in block 81
Block first atom: 4469
Blocpdb> 50 atoms in block 82
Block first atom: 4523
Blocpdb> 55 atoms in block 83
Block first atom: 4573
Blocpdb> 73 atoms in block 84
Block first atom: 4628
Blocpdb> 61 atoms in block 85
Block first atom: 4701
Blocpdb> 40 atoms in block 86
Block first atom: 4762
Blocpdb> 53 atoms in block 87
Block first atom: 4802
Blocpdb> 56 atoms in block 88
Block first atom: 4855
Blocpdb> 63 atoms in block 89
Block first atom: 4911
Blocpdb> 48 atoms in block 90
Block first atom: 4974
Blocpdb> 47 atoms in block 91
Block first atom: 5022
Blocpdb> 41 atoms in block 92
Block first atom: 5069
Blocpdb> 80 atoms in block 93
Block first atom: 5110
Blocpdb> 55 atoms in block 94
Block first atom: 5190
Blocpdb> 36 atoms in block 95
Block first atom: 5245
Blocpdb> 52 atoms in block 96
Block first atom: 5281
Blocpdb> 60 atoms in block 97
Block first atom: 5333
Blocpdb> 63 atoms in block 98
Block first atom: 5393
Blocpdb> 69 atoms in block 99
Block first atom: 5456
Blocpdb> 54 atoms in block 100
Block first atom: 5525
Blocpdb> 50 atoms in block 101
Block first atom: 5579
Blocpdb> 55 atoms in block 102
Block first atom: 5629
Blocpdb> 73 atoms in block 103
Block first atom: 5684
Blocpdb> 61 atoms in block 104
Block first atom: 5757
Blocpdb> 40 atoms in block 105
Block first atom: 5818
Blocpdb> 53 atoms in block 106
Block first atom: 5858
Blocpdb> 56 atoms in block 107
Block first atom: 5911
Blocpdb> 63 atoms in block 108
Block first atom: 5967
Blocpdb> 48 atoms in block 109
Block first atom: 6030
Blocpdb> 47 atoms in block 110
Block first atom: 6078
Blocpdb> 41 atoms in block 111
Block first atom: 6125
Blocpdb> 80 atoms in block 112
Block first atom: 6166
Blocpdb> 55 atoms in block 113
Block first atom: 6246
Blocpdb> 36 atoms in block 114
Block first atom: 6301
Blocpdb> 52 atoms in block 115
Block first atom: 6337
Blocpdb> 60 atoms in block 116
Block first atom: 6389
Blocpdb> 63 atoms in block 117
Block first atom: 6449
Blocpdb> 69 atoms in block 118
Block first atom: 6512
Blocpdb> 54 atoms in block 119
Block first atom: 6581
Blocpdb> 50 atoms in block 120
Block first atom: 6635
Blocpdb> 55 atoms in block 121
Block first atom: 6685
Blocpdb> 73 atoms in block 122
Block first atom: 6740
Blocpdb> 61 atoms in block 123
Block first atom: 6813
Blocpdb> 40 atoms in block 124
Block first atom: 6874
Blocpdb> 53 atoms in block 125
Block first atom: 6914
Blocpdb> 56 atoms in block 126
Block first atom: 6967
Blocpdb> 63 atoms in block 127
Block first atom: 7023
Blocpdb> 48 atoms in block 128
Block first atom: 7086
Blocpdb> 47 atoms in block 129
Block first atom: 7134
Blocpdb> 41 atoms in block 130
Block first atom: 7181
Blocpdb> 80 atoms in block 131
Block first atom: 7222
Blocpdb> 55 atoms in block 132
Block first atom: 7302
Blocpdb> 36 atoms in block 133
Block first atom: 7357
Blocpdb> 52 atoms in block 134
Block first atom: 7393
Blocpdb> 60 atoms in block 135
Block first atom: 7445
Blocpdb> 63 atoms in block 136
Block first atom: 7505
Blocpdb> 69 atoms in block 137
Block first atom: 7568
Blocpdb> 54 atoms in block 138
Block first atom: 7637
Blocpdb> 50 atoms in block 139
Block first atom: 7691
Blocpdb> 55 atoms in block 140
Block first atom: 7741
Blocpdb> 73 atoms in block 141
Block first atom: 7796
Blocpdb> 61 atoms in block 142
Block first atom: 7869
Blocpdb> 40 atoms in block 143
Block first atom: 7930
Blocpdb> 53 atoms in block 144
Block first atom: 7970
Blocpdb> 56 atoms in block 145
Block first atom: 8023
Blocpdb> 63 atoms in block 146
Block first atom: 8079
Blocpdb> 48 atoms in block 147
Block first atom: 8142
Blocpdb> 47 atoms in block 148
Block first atom: 8190
Blocpdb> 41 atoms in block 149
Block first atom: 8237
Blocpdb> 80 atoms in block 150
Block first atom: 8278
Blocpdb> 55 atoms in block 151
Block first atom: 8358
Blocpdb> 36 atoms in block 152
Block first atom: 8413
Blocpdb> 52 atoms in block 153
Block first atom: 8449
Blocpdb> 60 atoms in block 154
Block first atom: 8501
Blocpdb> 63 atoms in block 155
Block first atom: 8561
Blocpdb> 69 atoms in block 156
Block first atom: 8624
Blocpdb> 54 atoms in block 157
Block first atom: 8693
Blocpdb> 50 atoms in block 158
Block first atom: 8747
Blocpdb> 55 atoms in block 159
Block first atom: 8797
Blocpdb> 73 atoms in block 160
Block first atom: 8852
Blocpdb> 61 atoms in block 161
Block first atom: 8925
Blocpdb> 40 atoms in block 162
Block first atom: 8986
Blocpdb> 53 atoms in block 163
Block first atom: 9026
Blocpdb> 56 atoms in block 164
Block first atom: 9079
Blocpdb> 63 atoms in block 165
Block first atom: 9135
Blocpdb> 48 atoms in block 166
Block first atom: 9198
Blocpdb> 47 atoms in block 167
Block first atom: 9246
Blocpdb> 41 atoms in block 168
Block first atom: 9293
Blocpdb> 80 atoms in block 169
Block first atom: 9334
Blocpdb> 55 atoms in block 170
Block first atom: 9414
Blocpdb> 36 atoms in block 171
Block first atom: 9469
Blocpdb> 52 atoms in block 172
Block first atom: 9505
Blocpdb> 60 atoms in block 173
Block first atom: 9557
Blocpdb> 63 atoms in block 174
Block first atom: 9617
Blocpdb> 69 atoms in block 175
Block first atom: 9680
Blocpdb> 54 atoms in block 176
Block first atom: 9749
Blocpdb> 50 atoms in block 177
Block first atom: 9803
Blocpdb> 55 atoms in block 178
Block first atom: 9853
Blocpdb> 73 atoms in block 179
Block first atom: 9908
Blocpdb> 61 atoms in block 180
Block first atom: 9981
Blocpdb> 40 atoms in block 181
Block first atom: 10042
Blocpdb> 53 atoms in block 182
Block first atom: 10082
Blocpdb> 56 atoms in block 183
Block first atom: 10135
Blocpdb> 63 atoms in block 184
Block first atom: 10191
Blocpdb> 48 atoms in block 185
Block first atom: 10254
Blocpdb> 47 atoms in block 186
Block first atom: 10302
Blocpdb> 41 atoms in block 187
Block first atom: 10349
Blocpdb> 80 atoms in block 188
Block first atom: 10390
Blocpdb> 55 atoms in block 189
Block first atom: 10470
Blocpdb> 36 atoms in block 190
Block first atom: 10524
Blocpdb> 190 blocks.
Blocpdb> At most, 80 atoms in each of them.
Blocpdb> At least, 36 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> 7561884 matrix lines read.
Prepmat> Matrix order = 31680
Prepmat> Matrix trace = 16815440.0000
Prepmat> Last element read: 31680 31680 266.2531
Prepmat> 18146 lines saved.
Prepmat> 16190 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: 10560
RTB> Total mass = 10560.0000
RTB> Number of atoms found in matrix: 10560
RTB> Number of blocks = 190
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 465628.7625
RTB> 67528 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 = 1140
Diagstd> Nb of non-zero elements: 67528
Diagstd> Projected matrix trace = 465628.7625
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1140 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 465628.7625
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 0.3663048 0.4710879 0.8163697 1.0875334
1.3767884 1.7971934 2.1939959 2.4546700 2.9261974
5.0130282 5.0558270 5.3391899 6.5276240 6.7582170
7.1315723 8.7790188 9.8822281 11.6540134 11.7137580
13.7469299 14.3547703 14.3939330 16.4222508 17.2918937
17.4893044 20.2045877 20.3172512 22.0541819 22.4837585
26.9966335 27.0962181 27.8753516 28.9752344 29.0339714
30.4448074 31.0052352 34.9423544 35.5005102 37.8935823
39.9426710 40.6613389 41.7726597 45.1642327 45.5830570
48.3939803 48.8501650 49.4082776 51.1855725 52.1451690
52.4515677 53.6320620 53.8790724 57.0809439 57.2611768
57.6927213 59.4716519 62.7605817 63.3542374 64.2824680
64.8277383 64.8890591 65.8624933 65.9103883 66.2042412
67.1457179 67.2886722 67.3719549 67.7208045 68.1078332
69.4750734 69.9357963 70.6969429 72.6048347 72.9239561
74.7442405 77.1572196 78.1917671 78.6474149 79.9424907
80.0759491 82.6238440 83.4947581 83.5201307 84.6592077
85.0373261 85.5288302 86.6375219 86.7616435 87.1845151
87.2452490 89.2016548 89.7507984 90.7510667 90.7684269
92.0019284 92.0537727 92.9058755 94.3263788 95.4330562
95.9776669
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034291 0.0034316 0.0034318 0.0034336 0.0034358
0.0034374 65.7228786 74.5325945 98.1157486 113.2443594
127.4174430 145.5769747 160.8470827 170.1342824 185.7578138
243.1338091 244.1694813 250.9186630 277.4424084 282.3003035
289.9932740 321.7497886 341.3679293 370.7089214 371.6579304
402.6225904 411.4275824 411.9884292 440.0597222 451.5611380
454.1314179 488.1128902 489.4718892 509.9654535 514.9081144
564.2220900 565.2617775 573.3310428 584.5326293 585.1247961
599.1725318 604.6621661 641.9058928 647.0123607 668.4641361
686.2997364 692.4463299 701.8452165 729.7810777 733.1570311
755.4243019 758.9764450 763.2997808 776.9070511 784.1557292
786.4561574 795.2570496 797.0862825 820.4287166 821.7229467
824.8135604 837.4334055 860.2778883 864.3370193 870.6458843
874.3306749 874.7440937 881.2809123 881.6012866 883.5643537
889.8246677 890.7713893 891.3224693 893.6271083 896.1770378
905.1275568 908.1237675 913.0521794 925.2903883 927.3216315
938.8239209 953.8576450 960.2311584 963.0248778 970.9214991
971.7316037 987.0700586 992.2586322 992.4093855 999.1538823
1001.3826862 1004.2724439 1010.7605688 1011.4843448 1013.9463087
1014.2994113 1025.6087936 1028.7608785 1034.4777391 1034.5766792
1041.5826702 1041.8761015 1046.6870967 1054.6585100 1060.8273211
1063.8499426
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 10560
Rtb_to_modes> Number of blocs = 190
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: 9.9720E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9862E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9873E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0020E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.3663
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.4711
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.8164
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 1.088
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.377
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.797
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 2.194
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 2.455
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 2.926
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 5.013
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 5.056
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 5.339
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 6.528
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 6.758
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 7.132
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 8.779
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 9.882
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 11.65
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 11.71
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 13.75
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 14.35
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 14.39
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 16.42
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 17.29
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 17.49
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 20.20
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 20.32
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 22.05
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 22.48
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 27.00
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 27.10
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 27.88
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 28.98
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 29.03
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 30.44
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 31.01
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 34.94
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 35.50
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 37.89
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 39.94
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 40.66
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 41.77
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 45.16
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 45.58
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 48.39
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 48.85
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 49.41
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 51.19
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 52.15
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 52.45
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 53.63
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 53.88
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 57.08
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 57.26
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 57.69
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 59.47
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 62.76
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 63.35
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 64.28
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 64.83
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 64.89
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 65.86
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 65.91
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 66.20
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 67.15
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 67.29
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 67.37
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 67.72
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 68.11
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 69.48
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 69.94
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 70.70
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 72.60
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 72.92
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 74.74
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 77.16
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 78.19
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 78.65
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 79.94
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 80.08
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 82.62
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 83.49
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 83.52
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 84.66
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 85.04
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 85.53
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 86.64
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 86.76
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 87.18
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 87.25
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 89.20
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 89.75
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 90.75
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 90.77
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 92.00
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 92.05
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 92.91
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 94.33
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 95.43
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 95.98
Rtb_to_modes> 106 vectors, with 1140 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00000 1.00003 1.00001
1.00003 1.00003 1.00002 0.99998 0.99998
1.00000 1.00002 0.99996 0.99999 1.00002
0.99998 0.99999 0.99999 1.00000 1.00000
1.00001 1.00003 1.00003 1.00005 1.00001
0.99998 1.00003 0.99997 1.00000 0.99997
0.99998 1.00002 1.00000 0.99999 0.99997
1.00001 1.00004 1.00002 0.99998 1.00001
1.00002 1.00002 0.99997 0.99998 0.99999
0.99996 0.99994 0.99999 1.00001 1.00002
0.99999 1.00000 0.99998 1.00001 0.99998
0.99996 0.99994 0.99999 0.99997 1.00002
1.00002 1.00000 1.00000 0.99998 0.99999
1.00000 0.99993 0.99998 1.00001 0.99997
0.99999 1.00005 0.99999 0.99997 0.99999
0.99999 0.99999 1.00000 0.99998 1.00000
1.00003 1.00002 1.00001 0.99999 0.99999
1.00001 1.00000 0.99999 0.99999 0.99997
1.00001 1.00002 0.99998 0.99998 1.00000
1.00000 0.99998 0.99999 1.00001 1.00000
1.00001 1.00001 0.99999 1.00000 1.00001
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 190080 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00000 1.00003 1.00001
1.00003 1.00003 1.00002 0.99998 0.99998
1.00000 1.00002 0.99996 0.99999 1.00002
0.99998 0.99999 0.99999 1.00000 1.00000
1.00001 1.00003 1.00003 1.00005 1.00001
0.99998 1.00003 0.99997 1.00000 0.99997
0.99998 1.00002 1.00000 0.99999 0.99997
1.00001 1.00004 1.00002 0.99998 1.00001
1.00002 1.00002 0.99997 0.99998 0.99999
0.99996 0.99994 0.99999 1.00001 1.00002
0.99999 1.00000 0.99998 1.00001 0.99998
0.99996 0.99994 0.99999 0.99997 1.00002
1.00002 1.00000 1.00000 0.99998 0.99999
1.00000 0.99993 0.99998 1.00001 0.99997
0.99999 1.00005 0.99999 0.99997 0.99999
0.99999 0.99999 1.00000 0.99998 1.00000
1.00003 1.00002 1.00001 0.99999 0.99999
1.00001 1.00000 0.99999 0.99999 0.99997
1.00001 1.00002 0.99998 0.99998 1.00000
1.00000 0.99998 0.99999 1.00001 1.00000
1.00001 1.00001 0.99999 1.00000 1.00001
1.00002
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> 2403080132402185725.eigenfacs
Openam> file on opening on unit 10:
2403080132402185725.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403080132402185725.atom
Openam> file on opening on unit 11:
2403080132402185725.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 = 740
First residue number = 30
Last residue number = 103
Number of atoms found = 10560
Mean number per residue = 14.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9720E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9862E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9873E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0020E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3663
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4711
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 1.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.377
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.797
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 2.194
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 2.455
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 2.926
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 5.013
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 5.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 5.339
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 6.528
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 6.758
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 7.132
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 8.779
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 9.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 11.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 11.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 13.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 14.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 14.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 16.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 17.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 17.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 20.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 20.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 22.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 22.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 27.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 27.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 27.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 28.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 29.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 30.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 31.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 34.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 35.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 37.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 39.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 40.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 41.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 45.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 45.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 48.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 48.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 49.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 51.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 52.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 52.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 53.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 53.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 57.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 57.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 57.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 59.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 62.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 63.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 64.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 64.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 64.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 65.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 65.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 66.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 67.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 67.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 67.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 67.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 68.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 69.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 69.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 70.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 72.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 72.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 74.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 77.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 78.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 78.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 79.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 80.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 82.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 83.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 83.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 84.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 85.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 85.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 86.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 86.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 87.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 87.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 89.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 89.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 90.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 90.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 92.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 92.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 92.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 94.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 95.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 95.98
Bfactors> 106 vectors, 31680 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 : 0.366300
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> = 0.017 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.017
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 2403080132402185725 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=0
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=100
2403080132402185725.eigenfacs
2403080132402185725.atom
making animated gifs
11 models are in 2403080132402185725.7.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 2403080132402185725.7.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 2403080132402185725.7.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 2403080132402185725 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=0
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=100
2403080132402185725.eigenfacs
2403080132402185725.atom
making animated gifs
11 models are in 2403080132402185725.8.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 2403080132402185725.8.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 2403080132402185725.8.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 2403080132402185725 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=0
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=100
2403080132402185725.eigenfacs
2403080132402185725.atom
making animated gifs
11 models are in 2403080132402185725.9.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 2403080132402185725.9.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 2403080132402185725.9.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 2403080132402185725 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=0
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=100
2403080132402185725.eigenfacs
2403080132402185725.atom
making animated gifs
11 models are in 2403080132402185725.10.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 2403080132402185725.10.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 2403080132402185725.10.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 2403080132402185725 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=-20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=0
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=20
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=40
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=60
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=80
2403080132402185725.eigenfacs
2403080132402185725.atom
calculating perturbed structure for DQ=100
2403080132402185725.eigenfacs
2403080132402185725.atom
making animated gifs
11 models are in 2403080132402185725.11.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 2403080132402185725.11.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 2403080132402185725.11.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
2403080132402185725.10.pdb
2403080132402185725.11.pdb
2403080132402185725.7.pdb
2403080132402185725.8.pdb
2403080132402185725.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m56.860s
user 0m56.608s
sys 0m0.252s
../../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: 2403080132402185725.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.
|
