*** ***
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 = 2404210957231677212.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 2404210957231677212.atom to be opened.
Openam> File opened: 2404210957231677212.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 = 283
First residue number = 31
Last residue number = 313
Number of atoms found = 2831
Mean number per residue = 10.0
Pdbmat> Coordinate statistics:
= 2.702075 +/- 10.470709 From: -21.842000 To: 29.401000
= 25.953176 +/- 11.171995 From: -8.623000 To: 53.037000
= 1.303712 +/- 9.395956 From: -19.901000 To: 23.414000
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 3.9772 % Filled.
Pdbmat> 1434578 non-zero elements.
Pdbmat> 157538 atom-atom interactions.
Pdbmat> Number per atom= 111.29 +/- 31.31
Maximum number = 172
Minimum number = 15
Pdbmat> Matrix trace = 3.150760E+06
Pdbmat> Larger element = 703.792
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
283 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 = 2404210957231677212.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 2404210957231677212.atom to be opened.
Openam> file on opening on unit 11:
2404210957231677212.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2831 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> 283 residues.
Blocpdb> 17 atoms in block 1
Block first atom: 1
Blocpdb> 16 atoms in block 2
Block first atom: 18
Blocpdb> 23 atoms in block 3
Block first atom: 34
Blocpdb> 16 atoms in block 4
Block first atom: 57
Blocpdb> 25 atoms in block 5
Block first atom: 73
Blocpdb> 20 atoms in block 6
Block first atom: 98
Blocpdb> 19 atoms in block 7
Block first atom: 118
Blocpdb> 22 atoms in block 8
Block first atom: 137
Blocpdb> 17 atoms in block 9
Block first atom: 159
Blocpdb> 15 atoms in block 10
Block first atom: 176
Blocpdb> 18 atoms in block 11
Block first atom: 191
Blocpdb> 14 atoms in block 12
Block first atom: 209
Blocpdb> 23 atoms in block 13
Block first atom: 223
Blocpdb> 21 atoms in block 14
Block first atom: 246
Blocpdb> 26 atoms in block 15
Block first atom: 267
Blocpdb> 21 atoms in block 16
Block first atom: 293
Blocpdb> 13 atoms in block 17
Block first atom: 314
Blocpdb> 23 atoms in block 18
Block first atom: 327
Blocpdb> 21 atoms in block 19
Block first atom: 350
Blocpdb> 19 atoms in block 20
Block first atom: 371
Blocpdb> 18 atoms in block 21
Block first atom: 390
Blocpdb> 17 atoms in block 22
Block first atom: 408
Blocpdb> 10 atoms in block 23
Block first atom: 425
Blocpdb> 10 atoms in block 24
Block first atom: 435
Blocpdb> 25 atoms in block 25
Block first atom: 445
Blocpdb> 17 atoms in block 26
Block first atom: 470
Blocpdb> 22 atoms in block 27
Block first atom: 487
Blocpdb> 21 atoms in block 28
Block first atom: 509
Blocpdb> 21 atoms in block 29
Block first atom: 530
Blocpdb> 18 atoms in block 30
Block first atom: 551
Blocpdb> 22 atoms in block 31
Block first atom: 569
Blocpdb> 20 atoms in block 32
Block first atom: 591
Blocpdb> 17 atoms in block 33
Block first atom: 611
Blocpdb> 14 atoms in block 34
Block first atom: 628
Blocpdb> 33 atoms in block 35
Block first atom: 642
Blocpdb> 16 atoms in block 36
Block first atom: 675
Blocpdb> 24 atoms in block 37
Block first atom: 691
Blocpdb> 13 atoms in block 38
Block first atom: 715
Blocpdb> 32 atoms in block 39
Block first atom: 728
Blocpdb> 22 atoms in block 40
Block first atom: 760
Blocpdb> 17 atoms in block 41
Block first atom: 782
Blocpdb> 14 atoms in block 42
Block first atom: 799
Blocpdb> 16 atoms in block 43
Block first atom: 813
Blocpdb> 22 atoms in block 44
Block first atom: 829
Blocpdb> 25 atoms in block 45
Block first atom: 851
Blocpdb> 20 atoms in block 46
Block first atom: 876
Blocpdb> 17 atoms in block 47
Block first atom: 896
Blocpdb> 14 atoms in block 48
Block first atom: 913
Blocpdb> 16 atoms in block 49
Block first atom: 927
Blocpdb> 15 atoms in block 50
Block first atom: 943
Blocpdb> 17 atoms in block 51
Block first atom: 958
Blocpdb> 23 atoms in block 52
Block first atom: 975
Blocpdb> 24 atoms in block 53
Block first atom: 998
Blocpdb> 12 atoms in block 54
Block first atom: 1022
Blocpdb> 28 atoms in block 55
Block first atom: 1034
Blocpdb> 18 atoms in block 56
Block first atom: 1062
Blocpdb> 18 atoms in block 57
Block first atom: 1080
Blocpdb> 22 atoms in block 58
Block first atom: 1098
Blocpdb> 14 atoms in block 59
Block first atom: 1120
Blocpdb> 25 atoms in block 60
Block first atom: 1134
Blocpdb> 21 atoms in block 61
Block first atom: 1159
Blocpdb> 18 atoms in block 62
Block first atom: 1180
Blocpdb> 21 atoms in block 63
Block first atom: 1198
Blocpdb> 25 atoms in block 64
Block first atom: 1219
Blocpdb> 25 atoms in block 65
Block first atom: 1244
Blocpdb> 50 atoms in block 66
Block first atom: 1269
Blocpdb> 30 atoms in block 67
Block first atom: 1319
Blocpdb> 25 atoms in block 68
Block first atom: 1349
Blocpdb> 26 atoms in block 69
Block first atom: 1374
Blocpdb> 31 atoms in block 70
Block first atom: 1400
Blocpdb> 18 atoms in block 71
Block first atom: 1431
Blocpdb> 14 atoms in block 72
Block first atom: 1449
Blocpdb> 21 atoms in block 73
Block first atom: 1463
Blocpdb> 21 atoms in block 74
Block first atom: 1484
Blocpdb> 14 atoms in block 75
Block first atom: 1505
Blocpdb> 24 atoms in block 76
Block first atom: 1519
Blocpdb> 21 atoms in block 77
Block first atom: 1543
Blocpdb> 23 atoms in block 78
Block first atom: 1564
Blocpdb> 26 atoms in block 79
Block first atom: 1587
Blocpdb> 27 atoms in block 80
Block first atom: 1613
Blocpdb> 15 atoms in block 81
Block first atom: 1640
Blocpdb> 27 atoms in block 82
Block first atom: 1655
Blocpdb> 15 atoms in block 83
Block first atom: 1682
Blocpdb> 18 atoms in block 84
Block first atom: 1697
Blocpdb> 23 atoms in block 85
Block first atom: 1715
Blocpdb> 18 atoms in block 86
Block first atom: 1738
Blocpdb> 16 atoms in block 87
Block first atom: 1756
Blocpdb> 15 atoms in block 88
Block first atom: 1772
Blocpdb> 16 atoms in block 89
Block first atom: 1787
Blocpdb> 16 atoms in block 90
Block first atom: 1803
Blocpdb> 23 atoms in block 91
Block first atom: 1819
Blocpdb> 17 atoms in block 92
Block first atom: 1842
Blocpdb> 15 atoms in block 93
Block first atom: 1859
Blocpdb> 37 atoms in block 94
Block first atom: 1874
Blocpdb> 15 atoms in block 95
Block first atom: 1911
Blocpdb> 22 atoms in block 96
Block first atom: 1926
Blocpdb> 22 atoms in block 97
Block first atom: 1948
Blocpdb> 21 atoms in block 98
Block first atom: 1970
Blocpdb> 17 atoms in block 99
Block first atom: 1991
Blocpdb> 27 atoms in block 100
Block first atom: 2008
Blocpdb> 21 atoms in block 101
Block first atom: 2035
Blocpdb> 11 atoms in block 102
Block first atom: 2056
Blocpdb> 28 atoms in block 103
Block first atom: 2067
Blocpdb> 24 atoms in block 104
Block first atom: 2095
Blocpdb> 25 atoms in block 105
Block first atom: 2119
Blocpdb> 23 atoms in block 106
Block first atom: 2144
Blocpdb> 32 atoms in block 107
Block first atom: 2167
Blocpdb> 23 atoms in block 108
Block first atom: 2199
Blocpdb> 17 atoms in block 109
Block first atom: 2222
Blocpdb> 15 atoms in block 110
Block first atom: 2239
Blocpdb> 13 atoms in block 111
Block first atom: 2254
Blocpdb> 14 atoms in block 112
Block first atom: 2267
Blocpdb> 25 atoms in block 113
Block first atom: 2281
Blocpdb> 14 atoms in block 114
Block first atom: 2306
Blocpdb> 18 atoms in block 115
Block first atom: 2320
Blocpdb> 19 atoms in block 116
Block first atom: 2338
Blocpdb> 26 atoms in block 117
Block first atom: 2357
Blocpdb> 16 atoms in block 118
Block first atom: 2383
Blocpdb> 10 atoms in block 119
Block first atom: 2399
Blocpdb> 10 atoms in block 120
Block first atom: 2409
Blocpdb> 26 atoms in block 121
Block first atom: 2419
Blocpdb> 17 atoms in block 122
Block first atom: 2445
Blocpdb> 14 atoms in block 123
Block first atom: 2462
Blocpdb> 19 atoms in block 124
Block first atom: 2476
Blocpdb> 19 atoms in block 125
Block first atom: 2495
Blocpdb> 14 atoms in block 126
Block first atom: 2514
Blocpdb> 20 atoms in block 127
Block first atom: 2528
Blocpdb> 17 atoms in block 128
Block first atom: 2548
Blocpdb> 25 atoms in block 129
Block first atom: 2565
Blocpdb> 13 atoms in block 130
Block first atom: 2590
Blocpdb> 19 atoms in block 131
Block first atom: 2603
Blocpdb> 22 atoms in block 132
Block first atom: 2622
Blocpdb> 13 atoms in block 133
Block first atom: 2644
Blocpdb> 22 atoms in block 134
Block first atom: 2657
Blocpdb> 16 atoms in block 135
Block first atom: 2679
Blocpdb> 27 atoms in block 136
Block first atom: 2695
Blocpdb> 18 atoms in block 137
Block first atom: 2722
Blocpdb> 16 atoms in block 138
Block first atom: 2740
Blocpdb> 14 atoms in block 139
Block first atom: 2756
Blocpdb> 18 atoms in block 140
Block first atom: 2770
Blocpdb> 26 atoms in block 141
Block first atom: 2788
Blocpdb> 18 atoms in block 142
Block first atom: 2813
Blocpdb> 142 blocks.
Blocpdb> At most, 50 atoms in each of them.
Blocpdb> At least, 10 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> 1434720 matrix lines read.
Prepmat> Matrix order = 8493
Prepmat> Matrix trace = 3150760.0000
Prepmat> Last element read: 8493 8493 413.5167
Prepmat> 10154 lines saved.
Prepmat> 8359 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: 2831
RTB> Total mass = 2831.0000
RTB> Number of atoms found in matrix: 2831
RTB> Number of blocks = 142
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 272407.5735
RTB> 62454 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 = 852
Diagstd> Nb of non-zero elements: 62454
Diagstd> Projected matrix trace = 272407.5735
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 852 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 272407.5735
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 0.7361227 2.3661364 6.1133659 8.3199668
9.9306952 10.5566941 11.8304634 15.3671215 16.9515053
20.2067432 21.2352095 22.1230957 22.8978894 24.6810893
27.3991462 28.3271427 29.1294185 29.5268127 29.6681139
30.8370473 31.7762673 32.9002771 34.0474265 34.4755235
37.2295238 38.8964690 39.6981447 40.9044295 41.6609956
42.2608063 43.8772410 44.0940407 47.6088427 48.2446048
48.9748961 51.1130244 52.2110151 53.3354162 54.9982387
58.9324715 60.4015094 61.1786485 61.8158920 62.1990984
62.8738261 65.6467811 66.6693496 67.8778283 68.9570763
70.2985051 71.1909217 71.4672815 73.4577505 73.7048916
74.7713718 75.3586395 76.8486951 78.8247879 79.7661200
80.2819964 82.4524080 84.3515195 85.3360915 86.4764986
86.5517384 87.5871135 88.1515805 89.8453686 90.9214916
92.0938450 92.7302551 93.7320478 94.5484069 94.7086503
97.1217518 98.4611462 99.2303434 99.7225294 100.5715108
102.1829786 102.9624660 103.7047612 105.0777906 105.9420320
108.0202413 108.4201602 109.8813897 110.4070181 112.0532425
112.9625606 113.7570024 114.4418990 114.7566672 115.4881823
116.6270254 117.7868222 119.6396872 120.5469316 121.3384681
121.4701933
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034330 0.0034334 0.0034338 0.0034339 0.0034341
0.0034353 93.1687722 167.0379553 268.4945498 313.2247533
342.2040199 352.8249178 373.5047744 425.6881324 447.0945902
488.1389261 500.4072059 510.7615890 519.6285526 539.4826003
568.4127295 577.9585139 586.0857842 590.0700408 591.4802514
603.0199410 612.1343068 622.8666216 633.6324721 637.6035336
662.5810654 677.2521143 684.1957708 694.5131129 700.9065243
705.9341140 719.3080750 721.0829546 749.2712914 754.2575340
759.9447897 776.3562791 784.6506680 793.0546657 805.3221995
833.6286037 843.9547773 849.3666796 853.7787684 856.4210340
861.0536754 879.8365477 886.6625990 894.6625319 901.7469875
910.4756283 916.2364985 918.0131698 930.7093835 932.2737074
938.9942970 942.6745993 951.9486644 964.1102177 969.8498747
972.9810056 986.0454922 997.3365505 1003.1402451 1009.8208392
1010.2600462 1016.2846999 1019.5542327 1029.3027372 1035.4486262
1042.1028488 1045.6973504 1051.3306671 1055.8990231 1056.7934286
1070.1718766 1077.5259146 1081.7266454 1084.4060282 1089.0122558
1097.7022626 1101.8811360 1105.8459411 1113.1424542 1117.7107542
1128.6202852 1130.7075773 1138.3016151 1141.0209552 1149.4960793
1154.1507666 1158.2021055 1161.6834656 1163.2799525 1166.9817199
1172.7214797 1178.5381154 1187.7715390 1192.2665522 1196.1744841
1196.8235924
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2831
Rtb_to_modes> Number of blocs = 142
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: 9.9945E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9967E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9993E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9997E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 0.7361
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.366
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.113
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 8.320
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.931
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 10.56
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 11.83
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 15.37
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 16.95
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 20.21
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 21.24
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 22.12
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 22.90
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 24.68
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 27.40
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 28.33
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 29.13
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 29.53
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 29.67
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 30.84
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 31.78
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 32.90
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 34.05
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 34.48
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 37.23
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 38.90
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 39.70
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 40.90
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 41.66
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 42.26
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 43.88
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 44.09
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 47.61
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 48.24
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 48.97
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 51.11
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 52.21
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 53.34
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 55.00
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 58.93
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 60.40
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 61.18
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 61.82
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 62.20
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 62.87
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 65.65
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 66.67
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 67.88
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 68.96
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 70.30
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 71.19
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 71.47
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 73.46
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 73.70
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 74.77
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 75.36
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 76.85
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 78.82
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 79.77
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 80.28
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 82.45
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 84.35
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 85.34
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 86.48
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 86.55
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 87.59
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 88.15
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 89.85
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 90.92
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 92.09
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 92.73
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 93.73
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 94.55
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 94.71
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 97.12
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 98.46
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 99.23
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 99.72
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 100.6
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 102.2
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 103.7
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 105.1
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 105.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 108.0
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 108.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 109.9
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 110.4
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 112.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 113.0
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 113.8
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 114.4
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 114.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 115.5
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 116.6
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 117.8
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 119.6
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 121.3
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 121.5
Rtb_to_modes> 106 vectors, with 852 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00002 1.00000 1.00002 0.99999
1.00001 0.99997 1.00001 0.99999 0.99999
1.00001 1.00000 0.99999 0.99997 0.99999
1.00000 1.00000 0.99999 1.00000 0.99999
0.99998 0.99994 1.00000 1.00000 1.00000
1.00000 1.00000 1.00002 1.00001 1.00001
1.00003 1.00001 0.99997 0.99999 0.99996
1.00001 1.00004 0.99996 1.00002 1.00000
0.99998 0.99999 0.99998 0.99998 1.00001
0.99996 1.00002 0.99999 1.00001 1.00000
1.00003 1.00001 1.00001 1.00001 0.99999
1.00003 0.99999 0.99999 1.00000 0.99999
1.00002 1.00003 1.00000 1.00002 0.99999
1.00001 1.00000 0.99999 1.00000 1.00000
0.99999 0.99999 0.99998 0.99999 0.99998
0.99999 1.00000 0.99998 1.00001 0.99999
1.00000 1.00000 0.99999 1.00001 0.99999
0.99998 0.99999 0.99999 0.99999 0.99998
0.99999 1.00001 0.99999 1.00000 0.99997
1.00001 1.00002 1.00001 0.99999 1.00001
0.99998 0.99999 1.00000 1.00001 0.99999
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 50958 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00002 1.00000 1.00002 0.99999
1.00001 0.99997 1.00001 0.99999 0.99999
1.00001 1.00000 0.99999 0.99997 0.99999
1.00000 1.00000 0.99999 1.00000 0.99999
0.99998 0.99994 1.00000 1.00000 1.00000
1.00000 1.00000 1.00002 1.00001 1.00001
1.00003 1.00001 0.99997 0.99999 0.99996
1.00001 1.00004 0.99996 1.00002 1.00000
0.99998 0.99999 0.99998 0.99998 1.00001
0.99996 1.00002 0.99999 1.00001 1.00000
1.00003 1.00001 1.00001 1.00001 0.99999
1.00003 0.99999 0.99999 1.00000 0.99999
1.00002 1.00003 1.00000 1.00002 0.99999
1.00001 1.00000 0.99999 1.00000 1.00000
0.99999 0.99999 0.99998 0.99999 0.99998
0.99999 1.00000 0.99998 1.00001 0.99999
1.00000 1.00000 0.99999 1.00001 0.99999
0.99998 0.99999 0.99999 0.99999 0.99998
0.99999 1.00001 0.99999 1.00000 0.99997
1.00001 1.00002 1.00001 0.99999 1.00001
0.99998 0.99999 1.00000 1.00001 0.99999
0.99999
Orthogonality of first eigenvectors (zero expected):
Vector 2: 0.000
Vector 3: 0.000 0.000
Vector 4: 0.000-0.000-0.000
Vector 5: 0.000-0.000-0.000-0.000
Vector 6:-0.000-0.000-0.000-0.000 0.000
Vector 7:-0.000 0.000 0.000-0.000 0.000-0.000
Vector 8:-0.000-0.000-0.000-0.000-0.000-0.000-0.000
Vector 9: 0.000 0.000-0.000-0.000 0.000 0.000-0.000-0.000
Vector 10:-0.000 0.000-0.000 0.000-0.000 0.000-0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2404210957231677212.eigenfacs
Openam> file on opening on unit 10:
2404210957231677212.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404210957231677212.atom
Openam> file on opening on unit 11:
2404210957231677212.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 = 283
First residue number = 31
Last residue number = 313
Number of atoms found = 2831
Mean number per residue = 10.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9945E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9967E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9993E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9997E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.366
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.113
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 8.320
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.931
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 10.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 11.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 15.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 16.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 20.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 21.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 22.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 22.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 24.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 27.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 28.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 29.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 29.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 29.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 30.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 31.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 32.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 34.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 34.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 37.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 38.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 39.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 40.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 41.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 42.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 43.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 44.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 47.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 48.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 48.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 51.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 52.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 53.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 55.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 58.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 60.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 61.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 61.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 62.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 62.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 65.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 66.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 67.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 68.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 70.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 71.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 71.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 73.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 73.70
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 74.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 75.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 76.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 78.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 79.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 80.28
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 82.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 84.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 85.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 86.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 86.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 87.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 88.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 89.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 90.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 92.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 92.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 93.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 94.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 94.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 97.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 98.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 99.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 99.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 100.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 102.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 103.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 105.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 105.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 108.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 110.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 112.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 113.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 113.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 114.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 114.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 115.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 116.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 117.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 119.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 121.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 121.5
Bfactors> 106 vectors, 8493 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 : 0.736100
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= 0.525 for 294 C-alpha atoms.
Bfactors> = 0.020 +/- 0.14
Bfactors> = 20.480 +/- 6.66
Bfactors> Shiftng-fct= 20.460
Bfactors> Scaling-fct= 49.220
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404210957231677212 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=0
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=100
2404210957231677212.eigenfacs
2404210957231677212.atom
making animated gifs
11 models are in 2404210957231677212.7.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 2404210957231677212.7.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 2404210957231677212.7.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 2404210957231677212 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=0
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=100
2404210957231677212.eigenfacs
2404210957231677212.atom
making animated gifs
11 models are in 2404210957231677212.8.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 2404210957231677212.8.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 2404210957231677212.8.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 2404210957231677212 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=0
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=100
2404210957231677212.eigenfacs
2404210957231677212.atom
making animated gifs
11 models are in 2404210957231677212.9.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 2404210957231677212.9.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 2404210957231677212.9.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 2404210957231677212 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=0
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=100
2404210957231677212.eigenfacs
2404210957231677212.atom
making animated gifs
11 models are in 2404210957231677212.10.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 2404210957231677212.10.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 2404210957231677212.10.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 2404210957231677212 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=-20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=0
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=20
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=40
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=60
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=80
2404210957231677212.eigenfacs
2404210957231677212.atom
calculating perturbed structure for DQ=100
2404210957231677212.eigenfacs
2404210957231677212.atom
making animated gifs
11 models are in 2404210957231677212.11.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 2404210957231677212.11.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 2404210957231677212.11.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
2404210957231677212.10.pdb
2404210957231677212.11.pdb
2404210957231677212.7.pdb
2404210957231677212.8.pdb
2404210957231677212.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m11.700s
user 0m11.620s
sys 0m0.080s
../../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: 2404210957231677212.Chkmod.res: No such file or directory
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
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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