*** ***
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 = 2401061719014139307.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 2401061719014139307.atom to be opened.
Openam> File opened: 2401061719014139307.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 = 314
First residue number = 1
Last residue number = 314
Number of atoms found = 3084
Mean number per residue = 9.8
Pdbmat> Coordinate statistics:
= -3.603787 +/- 14.916363 From: -54.966000 To: 20.412000
= -2.252926 +/- 14.318024 From: -54.532000 To: 22.437000
= -0.787230 +/- 17.373365 From: -48.626000 To: 39.196000
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 2.8657 % Filled.
Pdbmat> 1226634 non-zero elements.
Pdbmat> 134265 atom-atom interactions.
Pdbmat> Number per atom= 87.07 +/- 32.77
Maximum number = 151
Minimum number = 11
Pdbmat> Matrix trace = 2.685300E+06
Pdbmat> Larger element = 587.646
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
314 non-zero elements, NRBL set to 2
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 = 2401061719014139307.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
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 2401061719014139307.atom to be opened.
Openam> file on opening on unit 11:
2401061719014139307.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3084 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 314 residues.
Blocpdb> 16 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 17
Blocpdb> 20 atoms in block 3
Block first atom: 33
Blocpdb> 24 atoms in block 4
Block first atom: 53
Blocpdb> 26 atoms in block 5
Block first atom: 77
Blocpdb> 18 atoms in block 6
Block first atom: 103
Blocpdb> 16 atoms in block 7
Block first atom: 121
Blocpdb> 18 atoms in block 8
Block first atom: 137
Blocpdb> 15 atoms in block 9
Block first atom: 155
Blocpdb> 13 atoms in block 10
Block first atom: 170
Blocpdb> 18 atoms in block 11
Block first atom: 183
Blocpdb> 26 atoms in block 12
Block first atom: 201
Blocpdb> 25 atoms in block 13
Block first atom: 227
Blocpdb> 14 atoms in block 14
Block first atom: 252
Blocpdb> 14 atoms in block 15
Block first atom: 266
Blocpdb> 16 atoms in block 16
Block first atom: 280
Blocpdb> 21 atoms in block 17
Block first atom: 296
Blocpdb> 18 atoms in block 18
Block first atom: 317
Blocpdb> 17 atoms in block 19
Block first atom: 335
Blocpdb> 14 atoms in block 20
Block first atom: 352
Blocpdb> 29 atoms in block 21
Block first atom: 366
Blocpdb> 16 atoms in block 22
Block first atom: 395
Blocpdb> 15 atoms in block 23
Block first atom: 411
Blocpdb> 18 atoms in block 24
Block first atom: 426
Blocpdb> 14 atoms in block 25
Block first atom: 444
Blocpdb> 22 atoms in block 26
Block first atom: 458
Blocpdb> 18 atoms in block 27
Block first atom: 480
Blocpdb> 21 atoms in block 28
Block first atom: 498
Blocpdb> 18 atoms in block 29
Block first atom: 519
Blocpdb> 12 atoms in block 30
Block first atom: 537
Blocpdb> 20 atoms in block 31
Block first atom: 549
Blocpdb> 18 atoms in block 32
Block first atom: 569
Blocpdb> 26 atoms in block 33
Block first atom: 587
Blocpdb> 17 atoms in block 34
Block first atom: 613
Blocpdb> 15 atoms in block 35
Block first atom: 630
Blocpdb> 25 atoms in block 36
Block first atom: 645
Blocpdb> 17 atoms in block 37
Block first atom: 670
Blocpdb> 23 atoms in block 38
Block first atom: 687
Blocpdb> 18 atoms in block 39
Block first atom: 710
Blocpdb> 17 atoms in block 40
Block first atom: 728
Blocpdb> 23 atoms in block 41
Block first atom: 745
Blocpdb> 21 atoms in block 42
Block first atom: 768
Blocpdb> 22 atoms in block 43
Block first atom: 789
Blocpdb> 19 atoms in block 44
Block first atom: 811
Blocpdb> 18 atoms in block 45
Block first atom: 830
Blocpdb> 24 atoms in block 46
Block first atom: 848
Blocpdb> 26 atoms in block 47
Block first atom: 872
Blocpdb> 26 atoms in block 48
Block first atom: 898
Blocpdb> 28 atoms in block 49
Block first atom: 924
Blocpdb> 19 atoms in block 50
Block first atom: 952
Blocpdb> 20 atoms in block 51
Block first atom: 971
Blocpdb> 22 atoms in block 52
Block first atom: 991
Blocpdb> 20 atoms in block 53
Block first atom: 1013
Blocpdb> 17 atoms in block 54
Block first atom: 1033
Blocpdb> 21 atoms in block 55
Block first atom: 1050
Blocpdb> 16 atoms in block 56
Block first atom: 1071
Blocpdb> 23 atoms in block 57
Block first atom: 1087
Blocpdb> 18 atoms in block 58
Block first atom: 1110
Blocpdb> 18 atoms in block 59
Block first atom: 1128
Blocpdb> 17 atoms in block 60
Block first atom: 1146
Blocpdb> 14 atoms in block 61
Block first atom: 1163
Blocpdb> 18 atoms in block 62
Block first atom: 1177
Blocpdb> 26 atoms in block 63
Block first atom: 1195
Blocpdb> 18 atoms in block 64
Block first atom: 1221
Blocpdb> 19 atoms in block 65
Block first atom: 1239
Blocpdb> 19 atoms in block 66
Block first atom: 1258
Blocpdb> 19 atoms in block 67
Block first atom: 1277
Blocpdb> 21 atoms in block 68
Block first atom: 1296
Blocpdb> 26 atoms in block 69
Block first atom: 1317
Blocpdb> 15 atoms in block 70
Block first atom: 1343
Blocpdb> 14 atoms in block 71
Block first atom: 1358
Blocpdb> 14 atoms in block 72
Block first atom: 1372
Blocpdb> 26 atoms in block 73
Block first atom: 1386
Blocpdb> 19 atoms in block 74
Block first atom: 1412
Blocpdb> 26 atoms in block 75
Block first atom: 1431
Blocpdb> 27 atoms in block 76
Block first atom: 1457
Blocpdb> 20 atoms in block 77
Block first atom: 1484
Blocpdb> 23 atoms in block 78
Block first atom: 1504
Blocpdb> 27 atoms in block 79
Block first atom: 1527
Blocpdb> 20 atoms in block 80
Block first atom: 1554
Blocpdb> 28 atoms in block 81
Block first atom: 1574
Blocpdb> 18 atoms in block 82
Block first atom: 1602
Blocpdb> 14 atoms in block 83
Block first atom: 1620
Blocpdb> 21 atoms in block 84
Block first atom: 1634
Blocpdb> 18 atoms in block 85
Block first atom: 1655
Blocpdb> 30 atoms in block 86
Block first atom: 1673
Blocpdb> 17 atoms in block 87
Block first atom: 1703
Blocpdb> 18 atoms in block 88
Block first atom: 1720
Blocpdb> 21 atoms in block 89
Block first atom: 1738
Blocpdb> 14 atoms in block 90
Block first atom: 1759
Blocpdb> 16 atoms in block 91
Block first atom: 1773
Blocpdb> 24 atoms in block 92
Block first atom: 1789
Blocpdb> 19 atoms in block 93
Block first atom: 1813
Blocpdb> 31 atoms in block 94
Block first atom: 1832
Blocpdb> 22 atoms in block 95
Block first atom: 1863
Blocpdb> 17 atoms in block 96
Block first atom: 1885
Blocpdb> 23 atoms in block 97
Block first atom: 1902
Blocpdb> 17 atoms in block 98
Block first atom: 1925
Blocpdb> 23 atoms in block 99
Block first atom: 1942
Blocpdb> 11 atoms in block 100
Block first atom: 1965
Blocpdb> 18 atoms in block 101
Block first atom: 1976
Blocpdb> 29 atoms in block 102
Block first atom: 1994
Blocpdb> 17 atoms in block 103
Block first atom: 2023
Blocpdb> 21 atoms in block 104
Block first atom: 2040
Blocpdb> 17 atoms in block 105
Block first atom: 2061
Blocpdb> 17 atoms in block 106
Block first atom: 2078
Blocpdb> 22 atoms in block 107
Block first atom: 2095
Blocpdb> 20 atoms in block 108
Block first atom: 2117
Blocpdb> 18 atoms in block 109
Block first atom: 2137
Blocpdb> 22 atoms in block 110
Block first atom: 2155
Blocpdb> 16 atoms in block 111
Block first atom: 2177
Blocpdb> 21 atoms in block 112
Block first atom: 2193
Blocpdb> 21 atoms in block 113
Block first atom: 2214
Blocpdb> 18 atoms in block 114
Block first atom: 2235
Blocpdb> 21 atoms in block 115
Block first atom: 2253
Blocpdb> 16 atoms in block 116
Block first atom: 2274
Blocpdb> 11 atoms in block 117
Block first atom: 2290
Blocpdb> 15 atoms in block 118
Block first atom: 2301
Blocpdb> 26 atoms in block 119
Block first atom: 2316
Blocpdb> 20 atoms in block 120
Block first atom: 2342
Blocpdb> 22 atoms in block 121
Block first atom: 2362
Blocpdb> 23 atoms in block 122
Block first atom: 2384
Blocpdb> 17 atoms in block 123
Block first atom: 2407
Blocpdb> 16 atoms in block 124
Block first atom: 2424
Blocpdb> 21 atoms in block 125
Block first atom: 2440
Blocpdb> 19 atoms in block 126
Block first atom: 2461
Blocpdb> 25 atoms in block 127
Block first atom: 2480
Blocpdb> 17 atoms in block 128
Block first atom: 2505
Blocpdb> 20 atoms in block 129
Block first atom: 2522
Blocpdb> 22 atoms in block 130
Block first atom: 2542
Blocpdb> 18 atoms in block 131
Block first atom: 2564
Blocpdb> 22 atoms in block 132
Block first atom: 2582
Blocpdb> 27 atoms in block 133
Block first atom: 2604
Blocpdb> 21 atoms in block 134
Block first atom: 2631
Blocpdb> 26 atoms in block 135
Block first atom: 2652
Blocpdb> 17 atoms in block 136
Block first atom: 2678
Blocpdb> 16 atoms in block 137
Block first atom: 2695
Blocpdb> 17 atoms in block 138
Block first atom: 2711
Blocpdb> 23 atoms in block 139
Block first atom: 2728
Blocpdb> 18 atoms in block 140
Block first atom: 2751
Blocpdb> 21 atoms in block 141
Block first atom: 2769
Blocpdb> 22 atoms in block 142
Block first atom: 2790
Blocpdb> 14 atoms in block 143
Block first atom: 2812
Blocpdb> 21 atoms in block 144
Block first atom: 2826
Blocpdb> 20 atoms in block 145
Block first atom: 2847
Blocpdb> 16 atoms in block 146
Block first atom: 2867
Blocpdb> 16 atoms in block 147
Block first atom: 2883
Blocpdb> 15 atoms in block 148
Block first atom: 2899
Blocpdb> 15 atoms in block 149
Block first atom: 2914
Blocpdb> 17 atoms in block 150
Block first atom: 2929
Blocpdb> 20 atoms in block 151
Block first atom: 2946
Blocpdb> 18 atoms in block 152
Block first atom: 2966
Blocpdb> 16 atoms in block 153
Block first atom: 2984
Blocpdb> 18 atoms in block 154
Block first atom: 3000
Blocpdb> 20 atoms in block 155
Block first atom: 3018
Blocpdb> 21 atoms in block 156
Block first atom: 3038
Blocpdb> 26 atoms in block 157
Block first atom: 3058
Blocpdb> 157 blocks.
Blocpdb> At most, 31 atoms in each of them.
Blocpdb> At least, 11 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> 1226791 matrix lines read.
Prepmat> Matrix order = 9252
Prepmat> Matrix trace = 2685300.0000
Prepmat> Last element read: 9252 9252 174.8479
Prepmat> 12404 lines saved.
Prepmat> 10926 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: 3084
RTB> Total mass = 3084.0000
RTB> Number of atoms found in matrix: 3084
RTB> Number of blocks = 157
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 221430.2145
RTB> 50817 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 = 942
Diagstd> Nb of non-zero elements: 50817
Diagstd> Projected matrix trace = 221430.2145
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 942 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 221430.2145
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 0.0001468 0.0013418 0.0028475 0.0090139
0.0113598 0.0121024 0.0165841 0.0375629 0.0575884
0.1025740 0.1430533 0.2061607 0.2602335 0.3038262
0.3314186 0.3430723 0.4919983 0.5172384 0.6781653
0.7718883 0.8523196 1.1983120 1.3683056 1.6619579
1.8568940 2.0226575 2.0557716 2.1978180 2.4431340
2.4869874 2.6665717 3.1579236 3.2279944 3.6587902
3.8184510 3.8869987 4.2884644 4.7455064 4.9094762
5.3260842 5.7653531 6.0694536 6.4351281 7.5063691
7.7046257 7.8900233 8.2998713 8.9719724 9.5734567
10.1349199 10.5802555 11.0096993 11.4983567 11.9446040
12.1613270 12.8764515 13.0765548 13.4860278 14.0028574
14.1217005 14.1970289 14.8892884 15.0750194 15.2728834
15.6071359 16.9446062 17.5605381 17.7216031 18.3731810
18.4852630 19.1747144 20.6757671 21.1676582 21.4721918
23.0266743 23.3603531 23.6093746 23.9341752 24.6449061
24.8506539 25.2526321 25.8619866 25.9867816 26.7860553
27.5203641 27.9318802 28.6440808 29.2264392 30.0924811
30.2536441 30.5295269 30.7423947 31.5247260 31.9334648
32.4003112 33.3804608 33.5468994 34.3212278 34.8323877
35.3780704
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034331 0.0034333 0.0034334 0.0034339 0.0034344
0.0034346 1.3158820 3.9777454 5.7946702 10.3098126
11.5739079 11.9462421 13.9843049 21.0462475 26.0592973
34.7787502 41.0718502 49.3058238 55.3958025 59.8560300
62.5149223 63.6045346 76.1687907 78.0981334 89.4258488
95.4052997 100.2528036 118.8721840 127.0243060 139.9926672
147.9751649 154.4388144 155.6978858 160.9871229 169.7340301
171.2505883 177.3257956 192.9727968 195.1019767 207.7131708
212.1968289 214.0930044 224.8775925 236.5574128 240.6095502
250.6105192 260.7403443 267.5285151 275.4697268 297.5159393
301.4192964 305.0242894 312.8462544 325.2664317 335.9925662
345.7048254 353.2184325 360.3155537 368.2249143 375.3022421
378.6916792 389.6667765 392.6828629 398.7836142 406.3531337
408.0738622 409.1607953 419.0175863 421.6229282 424.3808699
428.9995992 447.0035991 455.0553144 457.1374308 465.4654573
466.8830397 475.5100851 493.7715870 499.6106503 503.1916999
521.0877805 524.8497344 527.6397693 531.2568139 539.0870066
541.3326114 545.6932800 552.2379156 553.5687027 562.0172702
569.6687134 573.9120789 581.1827633 587.0610049 595.6954440
597.2884639 600.0056191 602.0937612 609.7066619 613.6465561
618.1158368 627.3955644 628.9577507 636.1751312 640.8950288
645.8956371
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3084
Rtb_to_modes> Number of blocs = 157
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: 9.9952E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9963E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9970E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9996E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0004E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 1.4684E-04
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 1.3418E-03
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 2.8475E-03
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 9.0139E-03
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 1.1360E-02
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 1.2102E-02
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 1.6584E-02
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 3.7563E-02
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 5.7588E-02
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.1026
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.1431
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.2062
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.2602
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.3038
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.3314
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.3431
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.4920
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.5172
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.6782
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 0.7719
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 0.8523
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.198
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.368
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.662
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.857
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 2.023
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 2.056
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 2.198
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 2.443
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.487
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.667
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 3.158
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 3.228
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 3.659
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 3.818
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 3.887
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 4.288
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 4.746
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 4.909
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 5.326
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 5.765
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 6.069
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 6.435
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 7.506
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 7.705
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 7.890
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 8.300
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 8.972
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 9.573
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 10.13
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 10.58
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 11.01
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 11.50
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 11.94
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 12.16
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 12.88
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 13.08
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 13.49
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 14.00
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 14.12
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 14.20
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 14.89
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 15.08
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 15.27
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 15.61
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 16.94
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 17.56
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 17.72
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 18.37
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 18.49
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 19.17
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 20.68
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 21.17
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 21.47
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 23.03
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 23.36
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 23.61
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 23.93
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 24.64
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 24.85
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 25.25
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 25.86
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 25.99
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 26.79
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 27.52
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 27.93
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 28.64
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 29.23
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 30.09
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 30.25
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 30.53
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 30.74
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 31.52
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 31.93
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 32.40
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 33.38
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 33.55
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 34.32
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 34.83
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 35.38
Rtb_to_modes> 106 vectors, with 942 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00001
0.99999 1.00001 0.99997 0.99999 0.99998
1.00002 0.99999 1.00000 0.99998 0.99999
0.99995 0.99997 1.00001 1.00003 1.00001
0.99998 1.00000 0.99995 0.99999 0.99995
1.00000 1.00001 0.99999 0.99998 1.00000
0.99998 0.99998 1.00000 1.00002 1.00002
0.99999 1.00002 0.99998 0.99999 0.99998
1.00004 1.00001 0.99999 1.00003 0.99999
1.00002 1.00001 1.00002 1.00001 1.00000
1.00001 1.00000 0.99999 1.00001 1.00000
1.00003 1.00001 1.00004 1.00000 0.99999
1.00001 0.99998 1.00000 0.99995 0.99996
1.00000 0.99995 0.99999 1.00001 1.00002
1.00003 1.00000 1.00001 1.00000 1.00001
0.99999 0.99997 0.99998 1.00002 1.00000
1.00000 1.00000 1.00003 0.99999 1.00001
1.00002 0.99998 1.00002 0.99998 1.00000
0.99999 1.00001 1.00002 0.99996 0.99999
0.99999 0.99999 1.00000 1.00003 1.00001
0.99999 1.00000 0.99999 1.00002 1.00001
0.99998
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 55512 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 1.00000 1.00000 1.00001
0.99999 1.00001 0.99997 0.99999 0.99998
1.00002 0.99999 1.00000 0.99998 0.99999
0.99995 0.99997 1.00001 1.00003 1.00001
0.99998 1.00000 0.99995 0.99999 0.99995
1.00000 1.00001 0.99999 0.99998 1.00000
0.99998 0.99998 1.00000 1.00002 1.00002
0.99999 1.00002 0.99998 0.99999 0.99998
1.00004 1.00001 0.99999 1.00003 0.99999
1.00002 1.00001 1.00002 1.00001 1.00000
1.00001 1.00000 0.99999 1.00001 1.00000
1.00003 1.00001 1.00004 1.00000 0.99999
1.00001 0.99998 1.00000 0.99995 0.99996
1.00000 0.99995 0.99999 1.00001 1.00002
1.00003 1.00000 1.00001 1.00000 1.00001
0.99999 0.99997 0.99998 1.00002 1.00000
1.00000 1.00000 1.00003 0.99999 1.00001
1.00002 0.99998 1.00002 0.99998 1.00000
0.99999 1.00001 1.00002 0.99996 0.99999
0.99999 0.99999 1.00000 1.00003 1.00001
0.99999 1.00000 0.99999 1.00002 1.00001
0.99998
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> 2401061719014139307.eigenfacs
Openam> file on opening on unit 10:
2401061719014139307.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401061719014139307.atom
Openam> file on opening on unit 11:
2401061719014139307.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 = 314
First residue number = 1
Last residue number = 314
Number of atoms found = 3084
Mean number per residue = 9.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9952E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9963E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9970E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9996E-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: 1.0004E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 1.4684E-04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 1.3418E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 2.8475E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 9.0139E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 1.1360E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 1.2102E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 1.6584E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 3.7563E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 5.7588E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1026
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2062
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2602
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3038
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3314
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3431
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4920
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5172
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6782
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7719
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8523
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.368
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.662
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.857
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 2.023
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 2.056
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 2.198
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 2.443
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.487
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.667
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 3.158
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 3.228
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 3.659
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 3.818
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 3.887
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 4.288
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 4.746
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 4.909
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 5.326
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 5.765
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 6.069
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 6.435
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 7.506
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 7.705
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 7.890
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 8.300
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 8.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 9.573
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 10.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 10.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 11.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 11.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 11.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 12.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 12.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 13.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 13.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 14.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 14.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 14.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 14.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 15.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 15.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 15.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 16.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 17.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 17.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 18.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 18.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 20.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 21.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 21.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 23.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 23.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 23.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 23.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 24.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 24.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 25.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 25.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 25.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 26.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 27.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 27.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 28.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 29.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 30.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 30.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 30.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 30.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 31.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 31.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 32.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 33.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 33.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 34.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 34.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 35.38
Bfactors> 106 vectors, 9252 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 : 0.000147
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> = 43.109 +/- 132.95
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -43.109
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 2401061719014139307 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=0
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=100
2401061719014139307.eigenfacs
2401061719014139307.atom
making animated gifs
11 models are in 2401061719014139307.7.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 2401061719014139307.7.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 2401061719014139307.7.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 2401061719014139307 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=0
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=100
2401061719014139307.eigenfacs
2401061719014139307.atom
making animated gifs
11 models are in 2401061719014139307.8.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 2401061719014139307.8.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 2401061719014139307.8.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 2401061719014139307 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=0
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=100
2401061719014139307.eigenfacs
2401061719014139307.atom
making animated gifs
11 models are in 2401061719014139307.9.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 2401061719014139307.9.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 2401061719014139307.9.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 2401061719014139307 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=0
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=100
2401061719014139307.eigenfacs
2401061719014139307.atom
making animated gifs
11 models are in 2401061719014139307.10.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 2401061719014139307.10.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 2401061719014139307.10.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 2401061719014139307 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=-20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=0
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=20
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=40
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=60
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=80
2401061719014139307.eigenfacs
2401061719014139307.atom
calculating perturbed structure for DQ=100
2401061719014139307.eigenfacs
2401061719014139307.atom
making animated gifs
11 models are in 2401061719014139307.11.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 2401061719014139307.11.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 2401061719014139307.11.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
2401061719014139307.10.pdb
2401061719014139307.11.pdb
2401061719014139307.7.pdb
2401061719014139307.8.pdb
2401061719014139307.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.063s
user 0m14.986s
sys 0m0.076s
../../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: 2401061719014139307.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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