*** pilBrmn ***
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 = 2401191049571849476.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 2401191049571849476.atom to be opened.
Openam> File opened: 2401191049571849476.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 = 141
First residue number = 1
Last residue number = 141
Number of atoms found = 2234
Mean number per residue = 15.8
Pdbmat> Coordinate statistics:
= -2.725370 +/- 10.282688 From: -25.980000 To: 21.095000
= 0.241685 +/- 6.369231 From: -14.539000 To: 15.539000
= -0.127791 +/- 10.107328 From: -22.995000 To: 23.420000
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 6.8546 % Filled.
Pdbmat> 1539667 non-zero elements.
Pdbmat> 169617 atom-atom interactions.
Pdbmat> Number per atom= 151.85 +/- 51.94
Maximum number = 263
Minimum number = 24
Pdbmat> Matrix trace = 3.392340E+06
Pdbmat> Larger element = 917.300
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
141 non-zero elements, NRBL set to 1
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 = 2401191049571849476.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2401191049571849476.atom to be opened.
Openam> file on opening on unit 11:
2401191049571849476.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2234 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 141 residues.
Blocpdb> 19 atoms in block 1
Block first atom: 1
Blocpdb> 11 atoms in block 2
Block first atom: 20
Blocpdb> 7 atoms in block 3
Block first atom: 31
Blocpdb> 24 atoms in block 4
Block first atom: 38
Blocpdb> 19 atoms in block 5
Block first atom: 62
Blocpdb> 7 atoms in block 6
Block first atom: 81
Blocpdb> 15 atoms in block 7
Block first atom: 88
Blocpdb> 19 atoms in block 8
Block first atom: 103
Blocpdb> 19 atoms in block 9
Block first atom: 122
Blocpdb> 16 atoms in block 10
Block first atom: 141
Blocpdb> 24 atoms in block 11
Block first atom: 157
Blocpdb> 15 atoms in block 12
Block first atom: 181
Blocpdb> 14 atoms in block 13
Block first atom: 196
Blocpdb> 19 atoms in block 14
Block first atom: 210
Blocpdb> 19 atoms in block 15
Block first atom: 229
Blocpdb> 11 atoms in block 16
Block first atom: 248
Blocpdb> 16 atoms in block 17
Block first atom: 259
Blocpdb> 17 atoms in block 18
Block first atom: 275
Blocpdb> 17 atoms in block 19
Block first atom: 292
Blocpdb> 19 atoms in block 20
Block first atom: 309
Blocpdb> 24 atoms in block 21
Block first atom: 328
Blocpdb> 22 atoms in block 22
Block first atom: 352
Blocpdb> 10 atoms in block 23
Block first atom: 374
Blocpdb> 17 atoms in block 24
Block first atom: 384
Blocpdb> 15 atoms in block 25
Block first atom: 401
Blocpdb> 15 atoms in block 26
Block first atom: 416
Blocpdb> 17 atoms in block 27
Block first atom: 431
Blocpdb> 17 atoms in block 28
Block first atom: 448
Blocpdb> 22 atoms in block 29
Block first atom: 465
Blocpdb> 14 atoms in block 30
Block first atom: 487
Blocpdb> 7 atoms in block 31
Block first atom: 501
Blocpdb> 14 atoms in block 32
Block first atom: 508
Blocpdb> 24 atoms in block 33
Block first atom: 522
Blocpdb> 19 atoms in block 34
Block first atom: 546
Blocpdb> 7 atoms in block 35
Block first atom: 565
Blocpdb> 14 atoms in block 36
Block first atom: 572
Blocpdb> 10 atoms in block 37
Block first atom: 586
Blocpdb> 19 atoms in block 38
Block first atom: 596
Blocpdb> 16 atoms in block 39
Block first atom: 615
Blocpdb> 22 atoms in block 40
Block first atom: 631
Blocpdb> 14 atoms in block 41
Block first atom: 653
Blocpdb> 7 atoms in block 42
Block first atom: 667
Blocpdb> 10 atoms in block 43
Block first atom: 674
Blocpdb> 19 atoms in block 44
Block first atom: 684
Blocpdb> 15 atoms in block 45
Block first atom: 703
Blocpdb> 15 atoms in block 46
Block first atom: 718
Blocpdb> 11 atoms in block 47
Block first atom: 733
Blocpdb> 22 atoms in block 48
Block first atom: 744
Blocpdb> 19 atoms in block 49
Block first atom: 766
Blocpdb> 14 atoms in block 50
Block first atom: 785
Blocpdb> 12 atoms in block 51
Block first atom: 799
Blocpdb> 20 atoms in block 52
Block first atom: 811
Blocpdb> 19 atoms in block 53
Block first atom: 831
Blocpdb> 11 atoms in block 54
Block first atom: 850
Blocpdb> 22 atoms in block 55
Block first atom: 861
Blocpdb> 17 atoms in block 56
Block first atom: 883
Blocpdb> 21 atoms in block 57
Block first atom: 900
Blocpdb> 7 atoms in block 58
Block first atom: 921
Blocpdb> 16 atoms in block 59
Block first atom: 928
Blocpdb> 14 atoms in block 60
Block first atom: 944
Blocpdb> 10 atoms in block 61
Block first atom: 958
Blocpdb> 19 atoms in block 62
Block first atom: 968
Blocpdb> 14 atoms in block 63
Block first atom: 987
Blocpdb> 19 atoms in block 64
Block first atom: 1001
Blocpdb> 22 atoms in block 65
Block first atom: 1020
Blocpdb> 12 atoms in block 66
Block first atom: 1042
Blocpdb> 20 atoms in block 67
Block first atom: 1054
Blocpdb> 12 atoms in block 68
Block first atom: 1074
Blocpdb> 16 atoms in block 69
Block first atom: 1086
Blocpdb> 15 atoms in block 70
Block first atom: 1102
Blocpdb> 14 atoms in block 71
Block first atom: 1117
Blocpdb> 12 atoms in block 72
Block first atom: 1131
Blocpdb> 19 atoms in block 73
Block first atom: 1143
Blocpdb> 19 atoms in block 74
Block first atom: 1162
Blocpdb> 22 atoms in block 75
Block first atom: 1181
Blocpdb> 19 atoms in block 76
Block first atom: 1203
Blocpdb> 16 atoms in block 77
Block first atom: 1222
Blocpdb> 14 atoms in block 78
Block first atom: 1238
Blocpdb> 22 atoms in block 79
Block first atom: 1252
Blocpdb> 15 atoms in block 80
Block first atom: 1274
Blocpdb> 16 atoms in block 81
Block first atom: 1289
Blocpdb> 10 atoms in block 82
Block first atom: 1305
Blocpdb> 15 atoms in block 83
Block first atom: 1315
Blocpdb> 22 atoms in block 84
Block first atom: 1330
Blocpdb> 17 atoms in block 85
Block first atom: 1352
Blocpdb> 19 atoms in block 86
Block first atom: 1369
Blocpdb> 16 atoms in block 87
Block first atom: 1388
Blocpdb> 16 atoms in block 88
Block first atom: 1404
Blocpdb> 14 atoms in block 89
Block first atom: 1420
Blocpdb> 16 atoms in block 90
Block first atom: 1434
Blocpdb> 14 atoms in block 91
Block first atom: 1450
Blocpdb> 24 atoms in block 92
Block first atom: 1464
Blocpdb> 10 atoms in block 93
Block first atom: 1488
Blocpdb> 7 atoms in block 94
Block first atom: 1498
Blocpdb> 14 atoms in block 95
Block first atom: 1505
Blocpdb> 11 atoms in block 96
Block first atom: 1519
Blocpdb> 19 atoms in block 97
Block first atom: 1530
Blocpdb> 19 atoms in block 98
Block first atom: 1549
Blocpdb> 16 atoms in block 99
Block first atom: 1568
Blocpdb> 10 atoms in block 100
Block first atom: 1584
Blocpdb> 17 atoms in block 101
Block first atom: 1594
Blocpdb> 11 atoms in block 102
Block first atom: 1611
Blocpdb> 12 atoms in block 103
Block first atom: 1622
Blocpdb> 14 atoms in block 104
Block first atom: 1634
Blocpdb> 11 atoms in block 105
Block first atom: 1648
Blocpdb> 14 atoms in block 106
Block first atom: 1659
Blocpdb> 19 atoms in block 107
Block first atom: 1673
Blocpdb> 20 atoms in block 108
Block first atom: 1692
Blocpdb> 10 atoms in block 109
Block first atom: 1712
Blocpdb> 16 atoms in block 110
Block first atom: 1722
Blocpdb> 12 atoms in block 111
Block first atom: 1738
Blocpdb> 12 atoms in block 112
Block first atom: 1750
Blocpdb> 19 atoms in block 113
Block first atom: 1762
Blocpdb> 22 atoms in block 114
Block first atom: 1781
Blocpdb> 20 atoms in block 115
Block first atom: 1803
Blocpdb> 19 atoms in block 116
Block first atom: 1823
Blocpdb> 14 atoms in block 117
Block first atom: 1842
Blocpdb> 7 atoms in block 118
Block first atom: 1856
Blocpdb> 21 atoms in block 119
Block first atom: 1863
Blocpdb> 14 atoms in block 120
Block first atom: 1884
Blocpdb> 19 atoms in block 121
Block first atom: 1898
Blocpdb> 15 atoms in block 122
Block first atom: 1917
Blocpdb> 14 atoms in block 123
Block first atom: 1932
Blocpdb> 16 atoms in block 124
Block first atom: 1946
Blocpdb> 16 atoms in block 125
Block first atom: 1962
Blocpdb> 10 atoms in block 126
Block first atom: 1978
Blocpdb> 11 atoms in block 127
Block first atom: 1988
Blocpdb> 15 atoms in block 128
Block first atom: 1999
Blocpdb> 16 atoms in block 129
Block first atom: 2014
Blocpdb> 11 atoms in block 130
Block first atom: 2030
Blocpdb> 19 atoms in block 131
Block first atom: 2041
Blocpdb> 24 atoms in block 132
Block first atom: 2060
Blocpdb> 15 atoms in block 133
Block first atom: 2084
Blocpdb> 10 atoms in block 134
Block first atom: 2099
Blocpdb> 19 atoms in block 135
Block first atom: 2109
Blocpdb> 15 atoms in block 136
Block first atom: 2128
Blocpdb> 24 atoms in block 137
Block first atom: 2143
Blocpdb> 21 atoms in block 138
Block first atom: 2167
Blocpdb> 21 atoms in block 139
Block first atom: 2188
Blocpdb> 10 atoms in block 140
Block first atom: 2209
Blocpdb> 16 atoms in block 141
Block first atom: 2218
Blocpdb> 141 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 7 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> 1539808 matrix lines read.
Prepmat> Matrix order = 6702
Prepmat> Matrix trace = 3392340.0000
Prepmat> Last element read: 6702 6702 47.6281
Prepmat> 10012 lines saved.
Prepmat> 8000 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: 2234
RTB> Total mass = 2234.0000
RTB> Number of atoms found in matrix: 2234
RTB> Number of blocks = 141
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 391607.4664
RTB> 70281 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 = 846
Diagstd> Nb of non-zero elements: 70281
Diagstd> Projected matrix trace = 391607.4664
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 846 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 391607.4664
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 4.8821719 6.0899076 8.0278213 15.0714586
19.1646063 20.4057679 23.7209104 26.1679815 27.8305759
29.1205790 31.0738539 34.0667223 38.0037018 38.8794071
41.0937861 42.0721117 43.5635366 44.3148652 50.3419856
50.8664225 54.6804013 55.5884454 58.0932822 59.8698934
62.6026188 63.6102904 65.3921421 67.5342946 67.7520813
72.6226579 73.6940627 75.3513425 76.8082607 77.8377525
80.2490033 82.6473872 82.9421310 84.1320950 86.9884801
87.8327616 89.5328668 92.7405524 94.8023423 95.2015958
97.8289922 98.8678023 101.7058181 101.9406410 103.8504663
106.7845769 107.4812336 111.3944340 114.3947910 117.2900624
118.0845985 120.2312205 123.3143611 124.4467496 125.6612995
126.5054296 129.0351850 131.0900947 132.5579753 133.5361028
134.3692033 136.6614848 140.1888126 143.5319350 143.7666506
144.8592992 145.0766197 146.7497946 150.2232725 152.0547920
152.8723361 155.0722095 155.7642974 157.6392059 158.0267136
159.4177031 162.4145370 163.8748068 164.7758769 165.9082432
167.9967653 169.0286112 171.1667583 171.8086069 173.2313038
174.6667496 176.1075710 177.2326119 178.1056907 179.3963795
179.5135592 180.8746403 181.5222761 183.6053014 186.6614279
187.3902756
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034306 0.0034325 0.0034327 0.0034336 0.0034343
0.0034358 239.9395356 267.9789187 307.6763588 421.5731304
475.3847347 490.5369781 528.8846435 555.4953040 572.8703922
585.9968520 605.3308946 633.8119970 669.4347168 677.1035596
696.1187928 704.3563527 716.7320831 722.8863036 770.4783698
774.4811956 802.9918308 809.6317755 827.6719503 840.2325904
859.1945837 866.0819136 878.1284791 892.3956900 893.8334450
925.4039521 932.2052192 942.6289581 951.6981952 958.0549608
972.7810544 987.2106784 988.9694470 996.0385149 1012.8057344
1017.7088452 1027.5111078 1045.7554089 1057.3160241 1059.5400916
1074.0613035 1079.7487762 1095.1363112 1096.3998323 1106.6225245
1122.1464653 1125.8009255 1146.1119108 1161.4443479 1176.0502781
1180.0269035 1190.7042621 1205.8744926 1211.3985772 1217.2956039
1221.3773537 1233.5289733 1243.3122678 1250.2538809 1254.8581308
1258.7664274 1269.4580318 1285.7364583 1300.9767944 1302.0400940
1306.9785806 1307.9585896 1315.4793385 1330.9565856 1339.0455050
1342.6404631 1352.2664329 1355.2806588 1363.4129022 1365.0876400
1371.0823936 1383.9096238 1390.1170711 1393.9336301 1398.7150974
1407.4913684 1411.8071984 1420.7085467 1423.3697719 1429.2508767
1435.1602580 1441.0674007 1445.6631108 1449.2195307 1454.4611229
1454.9360644 1460.4413492 1463.0536251 1471.4241804 1483.6196341
1486.5133205
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2234
Rtb_to_modes> Number of blocs = 141
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: 9.9806E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9913E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9927E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9977E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.882
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.090
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 8.028
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 15.07
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 19.16
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 20.41
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 23.72
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 26.17
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 27.83
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 29.12
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 31.07
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 34.07
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 38.00
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 38.88
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 41.09
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 42.07
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 43.56
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 44.31
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 50.34
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 50.87
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 54.68
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 55.59
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 58.09
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 59.87
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 62.60
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 63.61
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 65.39
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 67.53
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 67.75
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 72.62
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 73.69
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 75.35
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 76.81
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 77.84
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 80.25
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 82.65
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 82.94
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 84.13
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 86.99
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 87.83
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 89.53
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 92.74
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 94.80
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 95.20
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 97.83
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 98.87
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 101.7
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 101.9
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 103.9
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 106.8
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 107.5
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 111.4
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 114.4
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 117.3
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 118.1
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 120.2
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 123.3
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 124.4
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 125.7
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 126.5
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 129.0
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 131.1
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 132.6
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 133.5
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 134.4
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 136.7
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 140.2
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 143.5
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 143.8
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 144.9
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 145.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 146.7
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 150.2
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 152.1
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 152.9
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 155.1
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 155.8
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 157.6
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 158.0
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 159.4
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 162.4
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 163.9
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 164.8
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 165.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 168.0
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 169.0
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 171.2
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 171.8
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 173.2
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 174.7
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 176.1
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 177.2
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 178.1
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 179.4
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 179.5
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 180.9
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 181.5
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 183.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 186.7
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 187.4
Rtb_to_modes> 106 vectors, with 846 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00001 0.99999
0.99998 1.00001 0.99999 1.00000 0.99998
1.00001 1.00001 1.00002 1.00002 1.00006
1.00004 1.00000 1.00000 0.99998 1.00000
1.00004 0.99998 1.00001 1.00004 0.99996
1.00001 1.00001 1.00001 1.00002 1.00001
1.00000 0.99999 1.00001 1.00002 1.00002
1.00003 0.99999 0.99999 0.99998 1.00001
1.00003 1.00000 0.99999 0.99999 0.99999
1.00000 0.99998 0.99999 1.00002 0.99999
0.99999 1.00002 1.00002 0.99999 1.00000
1.00004 1.00000 1.00000 1.00001 0.99998
1.00001 0.99998 0.99998 1.00000 1.00001
1.00001 0.99999 1.00003 1.00000 1.00000
0.99999 1.00000 1.00000 1.00000 1.00002
1.00001 1.00001 1.00002 1.00000 1.00002
1.00002 1.00002 1.00000 1.00001 1.00000
0.99998 1.00000 1.00001 1.00000 1.00000
1.00002 1.00001 1.00001 1.00002 0.99997
0.99997 0.99998 0.99998 1.00000 1.00000
0.99999 1.00001 1.00000 0.99996 1.00001
0.99999
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 40212 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00001 0.99999
0.99998 1.00001 0.99999 1.00000 0.99998
1.00001 1.00001 1.00002 1.00002 1.00006
1.00004 1.00000 1.00000 0.99998 1.00000
1.00004 0.99998 1.00001 1.00004 0.99996
1.00001 1.00001 1.00001 1.00002 1.00001
1.00000 0.99999 1.00001 1.00002 1.00002
1.00003 0.99999 0.99999 0.99998 1.00001
1.00003 1.00000 0.99999 0.99999 0.99999
1.00000 0.99998 0.99999 1.00002 0.99999
0.99999 1.00002 1.00002 0.99999 1.00000
1.00004 1.00000 1.00000 1.00001 0.99998
1.00001 0.99998 0.99998 1.00000 1.00001
1.00001 0.99999 1.00003 1.00000 1.00000
0.99999 1.00000 1.00000 1.00000 1.00002
1.00001 1.00001 1.00002 1.00000 1.00002
1.00002 1.00002 1.00000 1.00001 1.00000
0.99998 1.00000 1.00001 1.00000 1.00000
1.00002 1.00001 1.00001 1.00002 0.99997
0.99997 0.99998 0.99998 1.00000 1.00000
0.99999 1.00001 1.00000 0.99996 1.00001
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> 2401191049571849476.eigenfacs
Openam> file on opening on unit 10:
2401191049571849476.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2401191049571849476.atom
Openam> file on opening on unit 11:
2401191049571849476.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 = 141
First residue number = 1
Last residue number = 141
Number of atoms found = 2234
Mean number per residue = 15.8
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9806E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9913E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9927E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9977E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0011E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 4.882
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.090
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 8.028
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 15.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 19.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 20.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 23.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 26.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 27.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 29.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 31.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 34.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 38.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 38.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 41.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 42.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 43.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 44.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 50.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 50.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 54.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 55.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 58.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 59.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 62.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 63.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 65.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 67.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 67.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 72.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 73.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 75.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 76.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 77.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 80.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 82.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 82.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 84.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 86.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 87.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 89.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 92.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 94.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 95.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 97.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 98.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 101.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 101.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 103.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 106.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 107.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 111.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 114.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 117.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 118.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 120.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 123.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 124.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 125.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 126.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 129.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 131.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 132.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 133.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 134.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 136.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 140.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 143.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 143.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 144.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 145.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 146.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 150.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 152.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 152.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 155.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 155.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 157.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 158.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 159.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 162.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 163.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 164.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 165.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 168.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 169.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 171.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 171.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 173.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 174.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 176.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 177.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 178.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 179.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 179.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 180.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 181.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 183.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 186.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 187.4
Bfactors> 106 vectors, 6702 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 : 4.882000
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= -0.793 for 141 C-alpha atoms.
Bfactors> = 0.009 +/- 0.01
Bfactors> = 90.310 +/- 8.11
Bfactors> Shiftng-fct= 90.302
Bfactors> Scaling-fct= 784.563
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2401191049571849476 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=0
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=100
2401191049571849476.eigenfacs
2401191049571849476.atom
making animated gifs
11 models are in 2401191049571849476.7.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 2401191049571849476.7.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 2401191049571849476.7.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 2401191049571849476 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=0
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=100
2401191049571849476.eigenfacs
2401191049571849476.atom
making animated gifs
11 models are in 2401191049571849476.8.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 2401191049571849476.8.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 2401191049571849476.8.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 2401191049571849476 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=0
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=100
2401191049571849476.eigenfacs
2401191049571849476.atom
making animated gifs
11 models are in 2401191049571849476.9.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 2401191049571849476.9.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 2401191049571849476.9.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 2401191049571849476 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=0
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=100
2401191049571849476.eigenfacs
2401191049571849476.atom
making animated gifs
11 models are in 2401191049571849476.10.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 2401191049571849476.10.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 2401191049571849476.10.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 2401191049571849476 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=-20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=0
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=20
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=40
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=60
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=80
2401191049571849476.eigenfacs
2401191049571849476.atom
calculating perturbed structure for DQ=100
2401191049571849476.eigenfacs
2401191049571849476.atom
making animated gifs
11 models are in 2401191049571849476.11.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 2401191049571849476.11.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 2401191049571849476.11.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
2401191049571849476.10.pdb
2401191049571849476.11.pdb
2401191049571849476.7.pdb
2401191049571849476.8.pdb
2401191049571849476.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m10.874s
user 0m10.793s
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: 2401191049571849476.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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