*** cd1d ***
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 = 2402011637291200144.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 2402011637291200144.atom to be opened.
Openam> File opened: 2402011637291200144.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 = 274
First residue number = 5
Last residue number = 278
Number of atoms found = 4343
Mean number per residue = 15.9
Pdbmat> Coordinate statistics:
= -27.613032 +/- 12.222918 From: -59.435000 To: -2.535000
= 1.920337 +/- 17.700339 From: -39.158000 To: 35.107000
= -1.407857 +/- 10.271958 From: -29.692000 To: 23.659000
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 3.3686 % Filled.
Pdbmat> 2859374 non-zero elements.
Pdbmat> 314864 atom-atom interactions.
Pdbmat> Number per atom= 145.00 +/- 43.64
Maximum number = 239
Minimum number = 21
Pdbmat> Matrix trace = 6.297280E+06
Pdbmat> Larger element = 815.343
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
274 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 = 2402011637291200144.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 2402011637291200144.atom to be opened.
Openam> file on opening on unit 11:
2402011637291200144.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 4343 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> 274 residues.
Blocpdb> 43 atoms in block 1
Block first atom: 1
Blocpdb> 39 atoms in block 2
Block first atom: 44
Blocpdb> 33 atoms in block 3
Block first atom: 83
Blocpdb> 35 atoms in block 4
Block first atom: 116
Blocpdb> 36 atoms in block 5
Block first atom: 151
Blocpdb> 30 atoms in block 6
Block first atom: 187
Blocpdb> 31 atoms in block 7
Block first atom: 217
Blocpdb> 24 atoms in block 8
Block first atom: 248
Blocpdb> 22 atoms in block 9
Block first atom: 272
Blocpdb> 38 atoms in block 10
Block first atom: 294
Blocpdb> 38 atoms in block 11
Block first atom: 332
Blocpdb> 19 atoms in block 12
Block first atom: 370
Blocpdb> 29 atoms in block 13
Block first atom: 389
Blocpdb> 43 atoms in block 14
Block first atom: 418
Blocpdb> 22 atoms in block 15
Block first atom: 461
Blocpdb> 36 atoms in block 16
Block first atom: 483
Blocpdb> 31 atoms in block 17
Block first atom: 519
Blocpdb> 35 atoms in block 18
Block first atom: 550
Blocpdb> 25 atoms in block 19
Block first atom: 585
Blocpdb> 23 atoms in block 20
Block first atom: 610
Blocpdb> 26 atoms in block 21
Block first atom: 633
Blocpdb> 40 atoms in block 22
Block first atom: 659
Blocpdb> 30 atoms in block 23
Block first atom: 699
Blocpdb> 36 atoms in block 24
Block first atom: 729
Blocpdb> 35 atoms in block 25
Block first atom: 765
Blocpdb> 24 atoms in block 26
Block first atom: 800
Blocpdb> 34 atoms in block 27
Block first atom: 824
Blocpdb> 23 atoms in block 28
Block first atom: 858
Blocpdb> 34 atoms in block 29
Block first atom: 881
Blocpdb> 39 atoms in block 30
Block first atom: 915
Blocpdb> 33 atoms in block 31
Block first atom: 954
Blocpdb> 34 atoms in block 32
Block first atom: 987
Blocpdb> 39 atoms in block 33
Block first atom: 1021
Blocpdb> 40 atoms in block 34
Block first atom: 1060
Blocpdb> 45 atoms in block 35
Block first atom: 1100
Blocpdb> 22 atoms in block 36
Block first atom: 1145
Blocpdb> 34 atoms in block 37
Block first atom: 1167
Blocpdb> 36 atoms in block 38
Block first atom: 1201
Blocpdb> 38 atoms in block 39
Block first atom: 1237
Blocpdb> 35 atoms in block 40
Block first atom: 1275
Blocpdb> 32 atoms in block 41
Block first atom: 1310
Blocpdb> 36 atoms in block 42
Block first atom: 1342
Blocpdb> 43 atoms in block 43
Block first atom: 1378
Blocpdb> 32 atoms in block 44
Block first atom: 1421
Blocpdb> 33 atoms in block 45
Block first atom: 1453
Blocpdb> 34 atoms in block 46
Block first atom: 1486
Blocpdb> 33 atoms in block 47
Block first atom: 1520
Blocpdb> 21 atoms in block 48
Block first atom: 1553
Blocpdb> 17 atoms in block 49
Block first atom: 1574
Blocpdb> 31 atoms in block 50
Block first atom: 1591
Blocpdb> 31 atoms in block 51
Block first atom: 1622
Blocpdb> 21 atoms in block 52
Block first atom: 1653
Blocpdb> 21 atoms in block 53
Block first atom: 1674
Blocpdb> 28 atoms in block 54
Block first atom: 1695
Blocpdb> 40 atoms in block 55
Block first atom: 1723
Blocpdb> 33 atoms in block 56
Block first atom: 1763
Blocpdb> 30 atoms in block 57
Block first atom: 1796
Blocpdb> 24 atoms in block 58
Block first atom: 1826
Blocpdb> 34 atoms in block 59
Block first atom: 1850
Blocpdb> 38 atoms in block 60
Block first atom: 1884
Blocpdb> 31 atoms in block 61
Block first atom: 1922
Blocpdb> 24 atoms in block 62
Block first atom: 1953
Blocpdb> 25 atoms in block 63
Block first atom: 1977
Blocpdb> 39 atoms in block 64
Block first atom: 2002
Blocpdb> 28 atoms in block 65
Block first atom: 2041
Blocpdb> 32 atoms in block 66
Block first atom: 2069
Blocpdb> 24 atoms in block 67
Block first atom: 2101
Blocpdb> 43 atoms in block 68
Block first atom: 2125
Blocpdb> 30 atoms in block 69
Block first atom: 2168
Blocpdb> 29 atoms in block 70
Block first atom: 2198
Blocpdb> 36 atoms in block 71
Block first atom: 2227
Blocpdb> 35 atoms in block 72
Block first atom: 2263
Blocpdb> 31 atoms in block 73
Block first atom: 2298
Blocpdb> 34 atoms in block 74
Block first atom: 2329
Blocpdb> 38 atoms in block 75
Block first atom: 2363
Blocpdb> 39 atoms in block 76
Block first atom: 2401
Blocpdb> 30 atoms in block 77
Block first atom: 2440
Blocpdb> 41 atoms in block 78
Block first atom: 2470
Blocpdb> 38 atoms in block 79
Block first atom: 2511
Blocpdb> 21 atoms in block 80
Block first atom: 2549
Blocpdb> 24 atoms in block 81
Block first atom: 2570
Blocpdb> 31 atoms in block 82
Block first atom: 2594
Blocpdb> 36 atoms in block 83
Block first atom: 2625
Blocpdb> 18 atoms in block 84
Block first atom: 2661
Blocpdb> 38 atoms in block 85
Block first atom: 2679
Blocpdb> 26 atoms in block 86
Block first atom: 2717
Blocpdb> 29 atoms in block 87
Block first atom: 2743
Blocpdb> 26 atoms in block 88
Block first atom: 2772
Blocpdb> 41 atoms in block 89
Block first atom: 2798
Blocpdb> 39 atoms in block 90
Block first atom: 2839
Blocpdb> 38 atoms in block 91
Block first atom: 2878
Blocpdb> 36 atoms in block 92
Block first atom: 2916
Blocpdb> 34 atoms in block 93
Block first atom: 2952
Blocpdb> 30 atoms in block 94
Block first atom: 2986
Blocpdb> 31 atoms in block 95
Block first atom: 3016
Blocpdb> 25 atoms in block 96
Block first atom: 3047
Blocpdb> 21 atoms in block 97
Block first atom: 3072
Blocpdb> 21 atoms in block 98
Block first atom: 3093
Blocpdb> 43 atoms in block 99
Block first atom: 3114
Blocpdb> 38 atoms in block 100
Block first atom: 3157
Blocpdb> 26 atoms in block 101
Block first atom: 3195
Blocpdb> 33 atoms in block 102
Block first atom: 3221
Blocpdb> 18 atoms in block 103
Block first atom: 3254
Blocpdb> 41 atoms in block 104
Block first atom: 3272
Blocpdb> 36 atoms in block 105
Block first atom: 3313
Blocpdb> 30 atoms in block 106
Block first atom: 3349
Blocpdb> 40 atoms in block 107
Block first atom: 3379
Blocpdb> 46 atoms in block 108
Block first atom: 3419
Blocpdb> 41 atoms in block 109
Block first atom: 3465
Blocpdb> 22 atoms in block 110
Block first atom: 3506
Blocpdb> 32 atoms in block 111
Block first atom: 3528
Blocpdb> 34 atoms in block 112
Block first atom: 3560
Blocpdb> 21 atoms in block 113
Block first atom: 3594
Blocpdb> 31 atoms in block 114
Block first atom: 3615
Blocpdb> 19 atoms in block 115
Block first atom: 3646
Blocpdb> 38 atoms in block 116
Block first atom: 3665
Blocpdb> 28 atoms in block 117
Block first atom: 3703
Blocpdb> 22 atoms in block 118
Block first atom: 3731
Blocpdb> 29 atoms in block 119
Block first atom: 3753
Blocpdb> 45 atoms in block 120
Block first atom: 3782
Blocpdb> 43 atoms in block 121
Block first atom: 3827
Blocpdb> 24 atoms in block 122
Block first atom: 3870
Blocpdb> 31 atoms in block 123
Block first atom: 3894
Blocpdb> 32 atoms in block 124
Block first atom: 3925
Blocpdb> 17 atoms in block 125
Block first atom: 3957
Blocpdb> 25 atoms in block 126
Block first atom: 3974
Blocpdb> 17 atoms in block 127
Block first atom: 3999
Blocpdb> 30 atoms in block 128
Block first atom: 4016
Blocpdb> 34 atoms in block 129
Block first atom: 4046
Blocpdb> 38 atoms in block 130
Block first atom: 4080
Blocpdb> 28 atoms in block 131
Block first atom: 4118
Blocpdb> 30 atoms in block 132
Block first atom: 4146
Blocpdb> 22 atoms in block 133
Block first atom: 4176
Blocpdb> 29 atoms in block 134
Block first atom: 4198
Blocpdb> 35 atoms in block 135
Block first atom: 4227
Blocpdb> 40 atoms in block 136
Block first atom: 4262
Blocpdb> 42 atoms in block 137
Block first atom: 4301
Blocpdb> 137 blocks.
Blocpdb> At most, 46 atoms in each of them.
Blocpdb> At least, 17 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> 2859511 matrix lines read.
Prepmat> Matrix order = 13029
Prepmat> Matrix trace = 6297280.0000
Prepmat> Last element read: 13029 13029 199.8882
Prepmat> 9454 lines saved.
Prepmat> 7948 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: 4343
RTB> Total mass = 4343.0000
RTB> Number of atoms found in matrix: 4343
RTB> Number of blocks = 137
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 324581.2690
RTB> 52125 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 = 822
Diagstd> Nb of non-zero elements: 52125
Diagstd> Projected matrix trace = 324581.2690
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 822 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 324581.2690
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 0.4696403 0.6918171 1.4185399 4.0529061
5.4321188 9.0497352 11.0782360 12.3180983 12.9484009
15.2071599 18.3606030 20.5239147 21.5709701 23.0371008
24.1286704 25.9105396 28.0563716 28.8302226 29.9800326
31.0762320 34.6072693 36.1892097 37.2897310 37.6720306
39.8513378 41.7245513 43.6624182 44.0671716 47.0062463
47.7254836 49.1524463 50.8051993 51.9183225 53.9635354
55.6193975 57.2816785 58.1157329 59.6392337 60.1643189
61.3854063 62.9294017 63.6697165 64.6810777 65.9238000
66.5659528 67.1503413 68.1941997 70.6892580 72.7218848
74.1896733 75.3378759 75.8742984 76.9959934 77.1735487
78.4661602 80.3544063 81.8629943 83.1832567 85.0801240
86.2541576 86.3486076 87.3660191 90.1687652 91.6761661
93.3498123 94.5728366 96.3794820 97.2234845 98.0915755
99.0393488 100.6855803 102.2762755 103.8198012 105.3249456
106.1323424 107.6518848 108.8198387 109.8730124 112.0439708
112.6225283 113.7348607 113.8707349 114.9451911 116.0218300
117.7397113 118.9922099 120.6754557 122.4020337 124.4534525
125.5496172 126.3839000 128.3192208 129.5667581 129.7623299
131.0842302 133.3626249 134.1608028 135.1343289 135.8362164
136.9471876
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034305 0.0034327 0.0034332 0.0034335 0.0034336
0.0034365 74.4179918 90.3214532 129.3349967 218.6142918
253.0928696 326.6729817 361.4353168 381.1247151 390.7539248
423.4667695 465.3061051 491.9550021 504.3477860 521.2057417
533.4110100 552.7560550 575.1896108 583.0680948 594.5814154
605.3540573 638.8206505 653.2581395 663.1166090 666.5071231
685.5146379 701.4409527 717.5450499 720.8632216 744.5143383
750.1885812 761.3210697 774.0149694 782.4482183 797.7108102
809.8571493 821.8700375 827.8318657 838.6124538 842.2960862
850.8007176 861.4341440 866.4863757 873.3411107 881.6909781
885.9747740 889.8553017 896.7450724 913.0025526 926.0359425
935.3346206 942.5447221 945.8943350 952.8605431 953.9585740
961.9145202 973.4196943 982.5147820 990.4059479 1001.6346444
1008.5218207 1009.0738454 1015.0011957 1031.1535504 1039.7370062
1049.1848354 1056.0354272 1066.0745462 1070.7322197 1075.5017845
1080.6851115 1089.6296667 1098.2032697 1106.4591299 1114.4508042
1118.7142113 1126.6943055 1132.7897720 1138.2582225 1149.4485217
1152.4123838 1158.0893835 1158.7809372 1164.2350871 1169.6748069
1178.3024036 1184.5531323 1192.9019650 1201.4054484 1211.4312007
1216.7545436 1220.7905441 1230.1020357 1236.0671837 1236.9997097
1243.2844569 1254.0427673 1257.7899040 1262.3451764 1265.6192400
1270.7842957
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 4343
Rtb_to_modes> Number of blocs = 137
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: 9.9798E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9926E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9955E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0015E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.4696
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 0.6918
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 1.419
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 4.053
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 5.432
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 9.050
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.08
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 12.32
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.95
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 15.21
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 18.36
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 20.52
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 21.57
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 23.04
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 24.13
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 25.91
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 28.06
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 28.83
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 29.98
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 31.08
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 34.61
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 36.19
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 37.29
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 37.67
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 39.85
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 41.72
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 43.66
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 44.07
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 47.01
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 47.73
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 49.15
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 50.81
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 51.92
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 53.96
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 55.62
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 57.28
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 58.12
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 59.64
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 60.16
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 61.39
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 62.93
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 63.67
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 64.68
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 65.92
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 66.57
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 67.15
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 68.19
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 70.69
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 72.72
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 74.19
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 75.34
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 75.87
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 77.00
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 77.17
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 78.47
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 80.35
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 81.86
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 83.18
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 85.08
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 86.25
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 86.35
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 87.37
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 90.17
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 91.68
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 93.35
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 94.57
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 96.38
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 97.22
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 98.09
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 99.04
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 100.7
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 102.3
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 103.8
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 105.3
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 106.1
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 107.7
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 108.8
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 109.9
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 112.0
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 112.6
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 113.7
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 113.9
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 114.9
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 116.0
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 117.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 119.0
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 120.7
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 122.4
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 124.5
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 125.5
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 126.4
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 128.3
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 129.6
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 129.8
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 131.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 133.4
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 134.2
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 135.1
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 135.8
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 136.9
Rtb_to_modes> 106 vectors, with 822 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99998 1.00000 1.00002 1.00001 1.00000
1.00000 1.00000 0.99999 0.99999 0.99999
1.00003 1.00001 1.00001 1.00000 1.00002
1.00002 0.99998 1.00000 1.00003 1.00003
0.99998 0.99998 1.00005 1.00001 0.99999
1.00001 1.00003 1.00002 1.00000 1.00001
1.00000 1.00001 1.00001 1.00001 0.99999
1.00000 1.00001 1.00002 1.00000 1.00000
1.00004 1.00001 0.99999 1.00001 0.99998
0.99998 1.00001 1.00002 0.99996 1.00000
0.99999 0.99998 1.00001 1.00000 1.00003
1.00003 0.99997 1.00002 0.99998 0.99999
1.00000 1.00002 0.99999 0.99999 0.99999
1.00001 1.00002 0.99999 0.99998 0.99999
1.00002 0.99999 1.00000 0.99997 1.00002
0.99998 0.99998 1.00000 0.99995 1.00001
0.99997 1.00002 1.00000 0.99998 0.99999
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 1.00003 0.99999 1.00001 0.99998
0.99998 1.00001 1.00001 0.99999 1.00000
1.00002 1.00003 1.00000 1.00000 1.00000
1.00004
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 78174 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99998 1.00000 1.00002 1.00001 1.00000
1.00000 1.00000 0.99999 0.99999 0.99999
1.00003 1.00001 1.00001 1.00000 1.00002
1.00002 0.99998 1.00000 1.00003 1.00003
0.99998 0.99998 1.00005 1.00001 0.99999
1.00001 1.00003 1.00002 1.00000 1.00001
1.00000 1.00001 1.00001 1.00001 0.99999
1.00000 1.00001 1.00002 1.00000 1.00000
1.00004 1.00001 0.99999 1.00001 0.99998
0.99998 1.00001 1.00002 0.99996 1.00000
0.99999 0.99998 1.00001 1.00000 1.00003
1.00003 0.99997 1.00002 0.99998 0.99999
1.00000 1.00002 0.99999 0.99999 0.99999
1.00001 1.00002 0.99999 0.99998 0.99999
1.00002 0.99999 1.00000 0.99997 1.00002
0.99998 0.99998 1.00000 0.99995 1.00001
0.99997 1.00002 1.00000 0.99998 0.99999
1.00000 0.99999 1.00000 1.00000 1.00000
1.00000 1.00003 0.99999 1.00001 0.99998
0.99998 1.00001 1.00001 0.99999 1.00000
1.00002 1.00003 1.00000 1.00000 1.00000
1.00004
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> 2402011637291200144.eigenfacs
Openam> file on opening on unit 10:
2402011637291200144.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402011637291200144.atom
Openam> file on opening on unit 11:
2402011637291200144.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 = 274
First residue number = 5
Last residue number = 278
Number of atoms found = 4343
Mean number per residue = 15.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9798E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9926E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0015E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4696
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6918
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 1.419
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 4.053
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 5.432
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 9.050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 12.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 15.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 18.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 20.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 21.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 23.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 24.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 25.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 28.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 28.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 29.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 31.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 34.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 36.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 37.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 37.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 39.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 41.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 43.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 44.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 47.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 47.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 49.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 50.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 51.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 53.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 55.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 57.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 58.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 59.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 60.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 61.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 62.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 63.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 64.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 65.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 66.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 67.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 68.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 70.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 72.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 74.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 75.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 75.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 77.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 77.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 78.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 80.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 81.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 83.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 85.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 86.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 86.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 87.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 90.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 91.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 93.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 94.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 96.38
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 97.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 98.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 99.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 100.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 102.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 103.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 105.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 106.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 107.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 108.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 112.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 112.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 113.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 113.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 114.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 116.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 117.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 119.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 120.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 124.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 125.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 126.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 128.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 129.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 129.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 131.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 133.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 134.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 135.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 135.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 136.9
Bfactors> 106 vectors, 13029 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 : 0.469600
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> = 0.022 +/- 0.02
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.022
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 2402011637291200144 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=0
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=100
2402011637291200144.eigenfacs
2402011637291200144.atom
making animated gifs
11 models are in 2402011637291200144.7.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 2402011637291200144.7.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 2402011637291200144.7.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 2402011637291200144 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=0
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=100
2402011637291200144.eigenfacs
2402011637291200144.atom
making animated gifs
11 models are in 2402011637291200144.8.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 2402011637291200144.8.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 2402011637291200144.8.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 2402011637291200144 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=0
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=100
2402011637291200144.eigenfacs
2402011637291200144.atom
making animated gifs
11 models are in 2402011637291200144.9.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 2402011637291200144.9.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 2402011637291200144.9.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 2402011637291200144 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=0
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=100
2402011637291200144.eigenfacs
2402011637291200144.atom
making animated gifs
11 models are in 2402011637291200144.10.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 2402011637291200144.10.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 2402011637291200144.10.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 2402011637291200144 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=-20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=0
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=20
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=40
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=60
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=80
2402011637291200144.eigenfacs
2402011637291200144.atom
calculating perturbed structure for DQ=100
2402011637291200144.eigenfacs
2402011637291200144.atom
making animated gifs
11 models are in 2402011637291200144.11.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 2402011637291200144.11.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 2402011637291200144.11.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
2402011637291200144.10.pdb
2402011637291200144.11.pdb
2402011637291200144.7.pdb
2402011637291200144.8.pdb
2402011637291200144.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m15.458s
user 0m15.354s
sys 0m0.104s
../../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: 2402011637291200144.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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