*** ***
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 = 2402071700381855122.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 2402071700381855122.atom to be opened.
Openam> File opened: 2402071700381855122.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 = 370
First residue number = 1
Last residue number = 370
Number of atoms found = 5980
Mean number per residue = 16.2
Pdbmat> Coordinate statistics:
= -22.170545 +/- 14.252431 From: -58.989000 To: 10.718000
= 24.267024 +/- 11.156643 From: -2.709000 To: 52.764000
= -9.786987 +/- 12.460624 From: -42.018000 To: 19.460000
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 2.8054 % Filled.
Pdbmat> 4514817 non-zero elements.
Pdbmat> 497753 atom-atom interactions.
Pdbmat> Number per atom= 166.47 +/- 51.46
Maximum number = 264
Minimum number = 31
Pdbmat> Matrix trace = 9.955060E+06
Pdbmat> Larger element = 944.754
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
370 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 = 2402071700381855122.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 2402071700381855122.atom to be opened.
Openam> file on opening on unit 11:
2402071700381855122.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5980 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> 370 residues.
Blocpdb> 33 atoms in block 1
Block first atom: 1
Blocpdb> 22 atoms in block 2
Block first atom: 34
Blocpdb> 22 atoms in block 3
Block first atom: 56
Blocpdb> 37 atoms in block 4
Block first atom: 78
Blocpdb> 32 atoms in block 5
Block first atom: 115
Blocpdb> 33 atoms in block 6
Block first atom: 147
Blocpdb> 23 atoms in block 7
Block first atom: 180
Blocpdb> 23 atoms in block 8
Block first atom: 203
Blocpdb> 34 atoms in block 9
Block first atom: 226
Blocpdb> 30 atoms in block 10
Block first atom: 260
Blocpdb> 43 atoms in block 11
Block first atom: 290
Blocpdb> 45 atoms in block 12
Block first atom: 333
Blocpdb> 34 atoms in block 13
Block first atom: 378
Blocpdb> 43 atoms in block 14
Block first atom: 412
Blocpdb> 29 atoms in block 15
Block first atom: 455
Blocpdb> 18 atoms in block 16
Block first atom: 484
Blocpdb> 17 atoms in block 17
Block first atom: 502
Blocpdb> 24 atoms in block 18
Block first atom: 519
Blocpdb> 35 atoms in block 19
Block first atom: 543
Blocpdb> 22 atoms in block 20
Block first atom: 578
Blocpdb> 29 atoms in block 21
Block first atom: 600
Blocpdb> 26 atoms in block 22
Block first atom: 629
Blocpdb> 35 atoms in block 23
Block first atom: 655
Blocpdb> 23 atoms in block 24
Block first atom: 690
Blocpdb> 30 atoms in block 25
Block first atom: 713
Blocpdb> 26 atoms in block 26
Block first atom: 743
Blocpdb> 44 atoms in block 27
Block first atom: 769
Blocpdb> 30 atoms in block 28
Block first atom: 813
Blocpdb> 38 atoms in block 29
Block first atom: 843
Blocpdb> 37 atoms in block 30
Block first atom: 881
Blocpdb> 31 atoms in block 31
Block first atom: 918
Blocpdb> 31 atoms in block 32
Block first atom: 949
Blocpdb> 32 atoms in block 33
Block first atom: 980
Blocpdb> 34 atoms in block 34
Block first atom: 1012
Blocpdb> 45 atoms in block 35
Block first atom: 1046
Blocpdb> 34 atoms in block 36
Block first atom: 1091
Blocpdb> 35 atoms in block 37
Block first atom: 1125
Blocpdb> 41 atoms in block 38
Block first atom: 1160
Blocpdb> 27 atoms in block 39
Block first atom: 1201
Blocpdb> 31 atoms in block 40
Block first atom: 1228
Blocpdb> 36 atoms in block 41
Block first atom: 1259
Blocpdb> 38 atoms in block 42
Block first atom: 1295
Blocpdb> 36 atoms in block 43
Block first atom: 1333
Blocpdb> 33 atoms in block 44
Block first atom: 1369
Blocpdb> 36 atoms in block 45
Block first atom: 1402
Blocpdb> 28 atoms in block 46
Block first atom: 1438
Blocpdb> 39 atoms in block 47
Block first atom: 1466
Blocpdb> 30 atoms in block 48
Block first atom: 1505
Blocpdb> 30 atoms in block 49
Block first atom: 1535
Blocpdb> 37 atoms in block 50
Block first atom: 1565
Blocpdb> 31 atoms in block 51
Block first atom: 1602
Blocpdb> 40 atoms in block 52
Block first atom: 1633
Blocpdb> 33 atoms in block 53
Block first atom: 1673
Blocpdb> 34 atoms in block 54
Block first atom: 1706
Blocpdb> 29 atoms in block 55
Block first atom: 1740
Blocpdb> 21 atoms in block 56
Block first atom: 1769
Blocpdb> 30 atoms in block 57
Block first atom: 1790
Blocpdb> 33 atoms in block 58
Block first atom: 1820
Blocpdb> 36 atoms in block 59
Block first atom: 1853
Blocpdb> 29 atoms in block 60
Block first atom: 1889
Blocpdb> 31 atoms in block 61
Block first atom: 1918
Blocpdb> 32 atoms in block 62
Block first atom: 1949
Blocpdb> 41 atoms in block 63
Block first atom: 1981
Blocpdb> 32 atoms in block 64
Block first atom: 2022
Blocpdb> 38 atoms in block 65
Block first atom: 2054
Blocpdb> 38 atoms in block 66
Block first atom: 2092
Blocpdb> 38 atoms in block 67
Block first atom: 2130
Blocpdb> 18 atoms in block 68
Block first atom: 2168
Blocpdb> 43 atoms in block 69
Block first atom: 2186
Blocpdb> 36 atoms in block 70
Block first atom: 2229
Blocpdb> 28 atoms in block 71
Block first atom: 2265
Blocpdb> 17 atoms in block 72
Block first atom: 2293
Blocpdb> 38 atoms in block 73
Block first atom: 2310
Blocpdb> 41 atoms in block 74
Block first atom: 2348
Blocpdb> 31 atoms in block 75
Block first atom: 2389
Blocpdb> 36 atoms in block 76
Block first atom: 2420
Blocpdb> 25 atoms in block 77
Block first atom: 2456
Blocpdb> 35 atoms in block 78
Block first atom: 2481
Blocpdb> 38 atoms in block 79
Block first atom: 2516
Blocpdb> 23 atoms in block 80
Block first atom: 2554
Blocpdb> 25 atoms in block 81
Block first atom: 2577
Blocpdb> 41 atoms in block 82
Block first atom: 2602
Blocpdb> 38 atoms in block 83
Block first atom: 2643
Blocpdb> 32 atoms in block 84
Block first atom: 2681
Blocpdb> 26 atoms in block 85
Block first atom: 2713
Blocpdb> 34 atoms in block 86
Block first atom: 2739
Blocpdb> 24 atoms in block 87
Block first atom: 2773
Blocpdb> 25 atoms in block 88
Block first atom: 2797
Blocpdb> 34 atoms in block 89
Block first atom: 2822
Blocpdb> 34 atoms in block 90
Block first atom: 2856
Blocpdb> 28 atoms in block 91
Block first atom: 2890
Blocpdb> 37 atoms in block 92
Block first atom: 2918
Blocpdb> 30 atoms in block 93
Block first atom: 2955
Blocpdb> 45 atoms in block 94
Block first atom: 2985
Blocpdb> 45 atoms in block 95
Block first atom: 3030
Blocpdb> 24 atoms in block 96
Block first atom: 3075
Blocpdb> 31 atoms in block 97
Block first atom: 3099
Blocpdb> 38 atoms in block 98
Block first atom: 3130
Blocpdb> 24 atoms in block 99
Block first atom: 3168
Blocpdb> 43 atoms in block 100
Block first atom: 3192
Blocpdb> 37 atoms in block 101
Block first atom: 3235
Blocpdb> 30 atoms in block 102
Block first atom: 3272
Blocpdb> 31 atoms in block 103
Block first atom: 3302
Blocpdb> 35 atoms in block 104
Block first atom: 3333
Blocpdb> 23 atoms in block 105
Block first atom: 3368
Blocpdb> 30 atoms in block 106
Block first atom: 3391
Blocpdb> 24 atoms in block 107
Block first atom: 3421
Blocpdb> 32 atoms in block 108
Block first atom: 3445
Blocpdb> 38 atoms in block 109
Block first atom: 3477
Blocpdb> 18 atoms in block 110
Block first atom: 3515
Blocpdb> 35 atoms in block 111
Block first atom: 3533
Blocpdb> 37 atoms in block 112
Block first atom: 3568
Blocpdb> 21 atoms in block 113
Block first atom: 3605
Blocpdb> 29 atoms in block 114
Block first atom: 3626
Blocpdb> 31 atoms in block 115
Block first atom: 3655
Blocpdb> 41 atoms in block 116
Block first atom: 3686
Blocpdb> 36 atoms in block 117
Block first atom: 3727
Blocpdb> 35 atoms in block 118
Block first atom: 3763
Blocpdb> 34 atoms in block 119
Block first atom: 3798
Blocpdb> 26 atoms in block 120
Block first atom: 3832
Blocpdb> 28 atoms in block 121
Block first atom: 3858
Blocpdb> 30 atoms in block 122
Block first atom: 3886
Blocpdb> 35 atoms in block 123
Block first atom: 3916
Blocpdb> 31 atoms in block 124
Block first atom: 3951
Blocpdb> 43 atoms in block 125
Block first atom: 3982
Blocpdb> 32 atoms in block 126
Block first atom: 4025
Blocpdb> 30 atoms in block 127
Block first atom: 4057
Blocpdb> 38 atoms in block 128
Block first atom: 4087
Blocpdb> 37 atoms in block 129
Block first atom: 4125
Blocpdb> 31 atoms in block 130
Block first atom: 4162
Blocpdb> 36 atoms in block 131
Block first atom: 4193
Blocpdb> 37 atoms in block 132
Block first atom: 4229
Blocpdb> 21 atoms in block 133
Block first atom: 4266
Blocpdb> 27 atoms in block 134
Block first atom: 4287
Blocpdb> 34 atoms in block 135
Block first atom: 4314
Blocpdb> 34 atoms in block 136
Block first atom: 4348
Blocpdb> 34 atoms in block 137
Block first atom: 4382
Blocpdb> 36 atoms in block 138
Block first atom: 4416
Blocpdb> 30 atoms in block 139
Block first atom: 4452
Blocpdb> 25 atoms in block 140
Block first atom: 4482
Blocpdb> 29 atoms in block 141
Block first atom: 4507
Blocpdb> 32 atoms in block 142
Block first atom: 4536
Blocpdb> 34 atoms in block 143
Block first atom: 4568
Blocpdb> 41 atoms in block 144
Block first atom: 4602
Blocpdb> 25 atoms in block 145
Block first atom: 4643
Blocpdb> 27 atoms in block 146
Block first atom: 4668
Blocpdb> 36 atoms in block 147
Block first atom: 4695
Blocpdb> 38 atoms in block 148
Block first atom: 4731
Blocpdb> 33 atoms in block 149
Block first atom: 4769
Blocpdb> 36 atoms in block 150
Block first atom: 4802
Blocpdb> 35 atoms in block 151
Block first atom: 4838
Blocpdb> 26 atoms in block 152
Block first atom: 4873
Blocpdb> 26 atoms in block 153
Block first atom: 4899
Blocpdb> 43 atoms in block 154
Block first atom: 4925
Blocpdb> 27 atoms in block 155
Block first atom: 4968
Blocpdb> 32 atoms in block 156
Block first atom: 4995
Blocpdb> 29 atoms in block 157
Block first atom: 5027
Blocpdb> 31 atoms in block 158
Block first atom: 5056
Blocpdb> 35 atoms in block 159
Block first atom: 5087
Blocpdb> 36 atoms in block 160
Block first atom: 5122
Blocpdb> 40 atoms in block 161
Block first atom: 5158
Blocpdb> 33 atoms in block 162
Block first atom: 5198
Blocpdb> 24 atoms in block 163
Block first atom: 5231
Blocpdb> 25 atoms in block 164
Block first atom: 5255
Blocpdb> 22 atoms in block 165
Block first atom: 5280
Blocpdb> 28 atoms in block 166
Block first atom: 5302
Blocpdb> 31 atoms in block 167
Block first atom: 5330
Blocpdb> 30 atoms in block 168
Block first atom: 5361
Blocpdb> 34 atoms in block 169
Block first atom: 5391
Blocpdb> 36 atoms in block 170
Block first atom: 5425
Blocpdb> 30 atoms in block 171
Block first atom: 5461
Blocpdb> 39 atoms in block 172
Block first atom: 5491
Blocpdb> 28 atoms in block 173
Block first atom: 5530
Blocpdb> 34 atoms in block 174
Block first atom: 5558
Blocpdb> 41 atoms in block 175
Block first atom: 5592
Blocpdb> 37 atoms in block 176
Block first atom: 5633
Blocpdb> 38 atoms in block 177
Block first atom: 5670
Blocpdb> 43 atoms in block 178
Block first atom: 5708
Blocpdb> 31 atoms in block 179
Block first atom: 5751
Blocpdb> 29 atoms in block 180
Block first atom: 5782
Blocpdb> 39 atoms in block 181
Block first atom: 5811
Blocpdb> 39 atoms in block 182
Block first atom: 5850
Blocpdb> 36 atoms in block 183
Block first atom: 5889
Blocpdb> 21 atoms in block 184
Block first atom: 5925
Blocpdb> 35 atoms in block 185
Block first atom: 5945
Blocpdb> 185 blocks.
Blocpdb> At most, 45 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> 4515002 matrix lines read.
Prepmat> Matrix order = 17940
Prepmat> Matrix trace = 9955060.0000
Prepmat> Last element read: 17940 17940 227.5617
Prepmat> 17206 lines saved.
Prepmat> 14780 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: 5980
RTB> Total mass = 5980.0000
RTB> Number of atoms found in matrix: 5980
RTB> Number of blocks = 185
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 516765.1242
RTB> 84525 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 = 1110
Diagstd> Nb of non-zero elements: 84525
Diagstd> Projected matrix trace = 516765.1242
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1110 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 516765.1242
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 2.8607194 4.0320548 5.7593804 10.9443667
13.3127017 13.9885248 14.9968657 15.8713562 18.8605727
19.1892533 23.4641610 26.3275160 27.0766987 27.9348818
31.7276840 34.2096288 37.5318111 38.1846230 38.9717734
39.9792872 40.8892493 42.6037498 45.1859090 46.1269206
48.4332849 49.8436905 50.4972530 50.6636997 52.5262039
53.6538619 55.5416181 57.0558106 58.5734117 60.0478151
61.9803169 63.7780692 64.4537219 65.8777114 67.0628450
69.3720037 70.3899138 71.4803065 73.7634817 74.6905075
75.9909137 77.2917277 77.6269221 79.6439340 79.8797828
82.4261801 83.6731601 83.7872672 86.8266916 88.1802146
88.7107135 90.3522408 91.7576614 92.7052729 93.4216783
94.6938180 95.7132422 96.1282915 98.8808957 100.6319525
101.3656385 102.5367479 103.2915407 105.3569843 106.9194181
107.3512386 108.2617097 109.1290644 111.3329222 111.3893514
113.7098034 113.7419531 114.7438054 117.0817454 117.7226874
120.3478323 120.5333033 122.6549248 122.9736199 124.5475353
125.4840301 126.8929856 127.6842851 128.7264732 129.4687148
130.5683968 131.1183524 132.1643766 132.6941937 133.2565391
134.8747664 135.5149177 136.9184038 138.1112481 138.7669933
140.5810586
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034287 0.0034308 0.0034310 0.0034315 0.0034345
0.0034379 183.6677517 218.0512059 260.6052513 359.2448885
396.2126889 406.1451202 420.5285938 432.6157235 471.5988297
475.6903247 526.0145956 557.1860355 565.0581411 573.9429153
611.6661768 635.1399946 665.2655597 671.0262871 677.9073846
686.6142358 694.3842293 708.7926298 729.9561835 737.5178087
755.7310100 766.6557120 771.6656296 772.9363474 787.0155038
795.4186579 809.2906899 820.2480755 831.0851852 841.4801682
854.9135025 867.2233523 871.8048498 881.3827206 889.2753760
904.4559071 911.0673792 918.0968205 932.6441794 938.4864043
946.6209538 954.6887127 956.7565929 969.1067803 970.5406228
985.8886504 993.3181384 993.9952136 1011.8634453 1019.7198092
1022.7825655 1032.2021138 1040.1990398 1045.5564818 1049.5886186
1056.7106732 1062.3834443 1064.6844031 1079.8202715 1089.3394452
1093.3033035 1099.6008066 1103.6405729 1114.6202935 1122.8547319
1125.1199105 1129.8810399 1134.3981150 1145.7954266 1146.0857635
1157.9618048 1158.1254916 1163.2147610 1175.0054318 1178.2172157
1191.2815516 1192.1991553 1202.6459015 1204.2073092 1211.8890155
1216.4366860 1223.2467996 1227.0549304 1232.0525037 1235.5994283
1240.8358027 1243.4462643 1248.3963384 1250.8961050 1253.5438922
1261.1322537 1264.1215444 1270.6507408 1276.1737443 1279.1997604
1287.5339365
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5980
Rtb_to_modes> Number of blocs = 185
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: 9.9691E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9815E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9825E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9858E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0023E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.861
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 4.032
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 5.759
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 10.94
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 13.31
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 13.99
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 15.00
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 15.87
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 18.86
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 19.19
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 23.46
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 26.33
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 27.08
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 27.93
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 31.73
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 34.21
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 37.53
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 38.18
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 38.97
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 39.98
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 40.89
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 42.60
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 45.19
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 46.13
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 48.43
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 49.84
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 50.50
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 50.66
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 52.53
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 53.65
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 55.54
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 57.06
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 58.57
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 60.05
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 61.98
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 63.78
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 64.45
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 65.88
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 67.06
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 69.37
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 70.39
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 71.48
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 73.76
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 74.69
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 75.99
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 77.29
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 77.63
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 79.64
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 79.88
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 82.43
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 83.67
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 83.79
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 86.83
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 88.18
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 88.71
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 90.35
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 91.76
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 92.71
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 93.42
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 94.69
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 95.71
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 96.13
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 98.88
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 100.6
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 101.4
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 102.5
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 105.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 106.9
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 107.4
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 108.3
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 109.1
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 111.3
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 111.4
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 113.7
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 113.7
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 114.7
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 117.1
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 117.7
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 120.3
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 122.7
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 123.0
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 124.5
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 125.5
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 126.9
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 127.7
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 128.7
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 129.5
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 130.6
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 131.1
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 132.2
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 132.7
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 133.3
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 134.9
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 135.5
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 136.9
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 138.1
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 138.8
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 140.6
Rtb_to_modes> 106 vectors, with 1110 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00002 1.00001 1.00002 0.99999
1.00000 1.00001 0.99999 0.99999 0.99998
1.00001 0.99999 1.00001 1.00000 0.99999
1.00000 1.00002 0.99998 0.99999 0.99998
1.00000 1.00000 1.00002 1.00001 1.00004
1.00000 0.99997 1.00002 1.00000 1.00002
0.99997 0.99998 0.99997 0.99999 1.00001
1.00000 1.00002 0.99998 1.00001 0.99999
1.00001 1.00000 0.99997 0.99998 1.00003
0.99997 1.00000 1.00000 0.99999 0.99999
1.00000 1.00001 0.99999 1.00000 1.00000
1.00000 1.00001 1.00000 0.99997 1.00000
1.00000 1.00000 1.00001 1.00000 1.00000
1.00001 1.00001 1.00001 0.99999 1.00000
0.99999 1.00000 1.00001 1.00000 0.99998
0.99999 1.00002 0.99999 0.99999 1.00000
1.00000 0.99999 0.99998 1.00000 1.00001
1.00001 0.99999 1.00000 0.99999 1.00000
1.00000 1.00000 1.00000 1.00001 1.00000
1.00000 0.99999 0.99999 1.00000 1.00001
1.00000 1.00000 1.00000 1.00002 1.00001
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 107640 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00002 1.00001 1.00002 0.99999
1.00000 1.00001 0.99999 0.99999 0.99998
1.00001 0.99999 1.00001 1.00000 0.99999
1.00000 1.00002 0.99998 0.99999 0.99998
1.00000 1.00000 1.00002 1.00001 1.00004
1.00000 0.99997 1.00002 1.00000 1.00002
0.99997 0.99998 0.99997 0.99999 1.00001
1.00000 1.00002 0.99998 1.00001 0.99999
1.00001 1.00000 0.99997 0.99998 1.00003
0.99997 1.00000 1.00000 0.99999 0.99999
1.00000 1.00001 0.99999 1.00000 1.00000
1.00000 1.00001 1.00000 0.99997 1.00000
1.00000 1.00000 1.00001 1.00000 1.00000
1.00001 1.00001 1.00001 0.99999 1.00000
0.99999 1.00000 1.00001 1.00000 0.99998
0.99999 1.00002 0.99999 0.99999 1.00000
1.00000 0.99999 0.99998 1.00000 1.00001
1.00001 0.99999 1.00000 0.99999 1.00000
1.00000 1.00000 1.00000 1.00001 1.00000
1.00000 0.99999 0.99999 1.00000 1.00001
1.00000 1.00000 1.00000 1.00002 1.00001
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000-0.000
Vector 4: 0.000 0.000-0.000
Vector 5:-0.000 0.000 0.000-0.000
Vector 6: 0.000-0.000 0.000 0.000-0.000
Vector 7:-0.000-0.000-0.000-0.000-0.000-0.000
Vector 8:-0.000-0.000-0.000-0.000 0.000-0.000-0.000
Vector 9:-0.000-0.000-0.000 0.000-0.000-0.000 0.000-0.000
Vector 10: 0.000-0.000 0.000 0.000 0.000-0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2402071700381855122.eigenfacs
Openam> file on opening on unit 10:
2402071700381855122.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2402071700381855122.atom
Openam> file on opening on unit 11:
2402071700381855122.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 = 370
First residue number = 1
Last residue number = 370
Number of atoms found = 5980
Mean number per residue = 16.2
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9691E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9815E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9825E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9858E-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: 1.0023E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.861
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 4.032
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 5.759
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 10.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 13.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 13.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 15.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 15.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 18.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 19.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 23.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 26.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 27.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 27.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 31.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 34.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 37.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 38.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 38.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 39.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 40.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 42.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 45.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 46.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 48.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 49.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 50.50
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 50.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 52.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 53.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 55.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 57.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 58.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 60.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 61.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 63.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 64.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 65.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 67.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 69.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 70.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 71.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 73.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 74.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 75.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 77.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 77.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 79.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 79.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 82.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 83.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 83.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 86.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 88.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 88.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 90.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 91.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 92.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 93.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 94.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 95.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 96.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 98.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 100.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 101.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 102.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 105.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 106.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 107.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 108.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 109.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 111.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 113.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 113.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 114.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 117.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 117.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 120.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 122.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 123.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 124.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 125.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 126.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 127.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 128.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 129.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 130.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 131.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 132.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 132.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 133.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 134.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 135.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 136.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 138.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 138.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 140.6
Bfactors> 106 vectors, 17940 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 : 2.861000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
Bfactors> Correlation= 0.443 for 370 C-alpha atoms.
Bfactors> = 0.006 +/- 0.01
Bfactors> = 1.097 +/- 0.53
Bfactors> Shiftng-fct= 1.091
Bfactors> Scaling-fct= 97.116
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2402071700381855122 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=0
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=100
2402071700381855122.eigenfacs
2402071700381855122.atom
making animated gifs
11 models are in 2402071700381855122.7.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 2402071700381855122.7.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 2402071700381855122.7.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 2402071700381855122 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=0
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=100
2402071700381855122.eigenfacs
2402071700381855122.atom
making animated gifs
11 models are in 2402071700381855122.8.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 2402071700381855122.8.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 2402071700381855122.8.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 2402071700381855122 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=0
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=100
2402071700381855122.eigenfacs
2402071700381855122.atom
making animated gifs
11 models are in 2402071700381855122.9.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 2402071700381855122.9.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 2402071700381855122.9.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 2402071700381855122 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=0
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=100
2402071700381855122.eigenfacs
2402071700381855122.atom
making animated gifs
11 models are in 2402071700381855122.10.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 2402071700381855122.10.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 2402071700381855122.10.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 2402071700381855122 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=-20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=0
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=20
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=40
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=60
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=80
2402071700381855122.eigenfacs
2402071700381855122.atom
calculating perturbed structure for DQ=100
2402071700381855122.eigenfacs
2402071700381855122.atom
making animated gifs
11 models are in 2402071700381855122.11.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 2402071700381855122.11.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 2402071700381855122.11.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
2402071700381855122.10.pdb
2402071700381855122.11.pdb
2402071700381855122.7.pdb
2402071700381855122.8.pdb
2402071700381855122.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m30.968s
user 0m30.833s
sys 0m0.112s
../../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: 2402071700381855122.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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