*** opt_a ***
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 = 2404032043392226964.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 2404032043392226964.atom to be opened.
Openam> File opened: 2404032043392226964.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 = 133
First residue number = 1001
Last residue number = 1134
Number of atoms found = 2012
Mean number per residue = 15.1
Pdbmat> Coordinate statistics:
= 12.352862 +/- 7.590630 From: -6.278000 To: 29.549000
= 54.219528 +/- 7.781148 From: 34.325000 To: 70.822000
= 23.906131 +/- 8.075318 From: 7.532000 To: 43.335000
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 7.9245 % Filled.
Pdbmat> 1443818 non-zero elements.
Pdbmat> 159109 atom-atom interactions.
Pdbmat> Number per atom= 158.16 +/- 48.06
Maximum number = 245
Minimum number = 35
Pdbmat> Matrix trace = 3.182180E+06
Pdbmat> Larger element = 862.381
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
133 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 = 2404032043392226964.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 2404032043392226964.atom to be opened.
Openam> file on opening on unit 11:
2404032043392226964.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2012 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> 133 residues.
Blocpdb> 12 atoms in block 1
Block first atom: 1
Blocpdb> 11 atoms in block 2
Block first atom: 13
Blocpdb> 7 atoms in block 3
Block first atom: 24
Blocpdb> 19 atoms in block 4
Block first atom: 31
Blocpdb> 16 atoms in block 5
Block first atom: 50
Blocpdb> 10 atoms in block 6
Block first atom: 66
Blocpdb> 11 atoms in block 7
Block first atom: 76
Blocpdb> 14 atoms in block 8
Block first atom: 87
Blocpdb> 19 atoms in block 9
Block first atom: 101
Blocpdb> 14 atoms in block 10
Block first atom: 120
Blocpdb> 19 atoms in block 11
Block first atom: 134
Blocpdb> 22 atoms in block 12
Block first atom: 153
Blocpdb> 14 atoms in block 13
Block first atom: 175
Blocpdb> 7 atoms in block 14
Block first atom: 189
Blocpdb> 15 atoms in block 15
Block first atom: 196
Blocpdb> 19 atoms in block 16
Block first atom: 211
Blocpdb> 24 atoms in block 17
Block first atom: 230
Blocpdb> 16 atoms in block 18
Block first atom: 254
Blocpdb> 24 atoms in block 19
Block first atom: 270
Blocpdb> 7 atoms in block 20
Block first atom: 294
Blocpdb> 15 atoms in block 21
Block first atom: 301
Blocpdb> 16 atoms in block 22
Block first atom: 316
Blocpdb> 10 atoms in block 23
Block first atom: 332
Blocpdb> 14 atoms in block 24
Block first atom: 342
Blocpdb> 12 atoms in block 25
Block first atom: 356
Blocpdb> 10 atoms in block 26
Block first atom: 368
Blocpdb> 22 atoms in block 27
Block first atom: 378
Blocpdb> 11 atoms in block 28
Block first atom: 400
Blocpdb> 20 atoms in block 29
Block first atom: 411
Blocpdb> 16 atoms in block 30
Block first atom: 431
Blocpdb> 19 atoms in block 31
Block first atom: 447
Blocpdb> 14 atoms in block 32
Block first atom: 466
Blocpdb> 19 atoms in block 33
Block first atom: 480
Blocpdb> 7 atoms in block 34
Block first atom: 499
Blocpdb> 22 atoms in block 35
Block first atom: 506
Blocpdb> 12 atoms in block 36
Block first atom: 528
Blocpdb> 11 atoms in block 37
Block first atom: 540
Blocpdb> 14 atoms in block 38
Block first atom: 551
Blocpdb> 14 atoms in block 39
Block first atom: 565
Blocpdb> 19 atoms in block 40
Block first atom: 579
Blocpdb> 11 atoms in block 41
Block first atom: 598
Blocpdb> 19 atoms in block 42
Block first atom: 609
Blocpdb> 17 atoms in block 43
Block first atom: 628
Blocpdb> 20 atoms in block 44
Block first atom: 645
Blocpdb> 14 atoms in block 45
Block first atom: 665
Blocpdb> 14 atoms in block 46
Block first atom: 679
Blocpdb> 24 atoms in block 47
Block first atom: 693
Blocpdb> 20 atoms in block 48
Block first atom: 717
Blocpdb> 14 atoms in block 49
Block first atom: 737
Blocpdb> 10 atoms in block 50
Block first atom: 751
Blocpdb> 17 atoms in block 51
Block first atom: 761
Blocpdb> 7 atoms in block 52
Block first atom: 778
Blocpdb> 12 atoms in block 53
Block first atom: 785
Blocpdb> 10 atoms in block 54
Block first atom: 797
Blocpdb> 14 atoms in block 55
Block first atom: 807
Blocpdb> 14 atoms in block 56
Block first atom: 821
Blocpdb> 19 atoms in block 57
Block first atom: 835
Blocpdb> 16 atoms in block 58
Block first atom: 854
Blocpdb> 11 atoms in block 59
Block first atom: 870
Blocpdb> 14 atoms in block 60
Block first atom: 881
Blocpdb> 11 atoms in block 61
Block first atom: 895
Blocpdb> 22 atoms in block 62
Block first atom: 906
Blocpdb> 12 atoms in block 63
Block first atom: 928
Blocpdb> 12 atoms in block 64
Block first atom: 940
Blocpdb> 7 atoms in block 65
Block first atom: 952
Blocpdb> 10 atoms in block 66
Block first atom: 959
Blocpdb> 24 atoms in block 67
Block first atom: 969
Blocpdb> 7 atoms in block 68
Block first atom: 993
Blocpdb> 14 atoms in block 69
Block first atom: 1000
Blocpdb> 15 atoms in block 70
Block first atom: 1014
Blocpdb> 17 atoms in block 71
Block first atom: 1029
Blocpdb> 24 atoms in block 72
Block first atom: 1046
Blocpdb> 15 atoms in block 73
Block first atom: 1070
Blocpdb> 10 atoms in block 74
Block first atom: 1085
Blocpdb> 16 atoms in block 75
Block first atom: 1095
Blocpdb> 20 atoms in block 76
Block first atom: 1111
Blocpdb> 14 atoms in block 77
Block first atom: 1131
Blocpdb> 20 atoms in block 78
Block first atom: 1145
Blocpdb> 17 atoms in block 79
Block first atom: 1165
Blocpdb> 14 atoms in block 80
Block first atom: 1182
Blocpdb> 7 atoms in block 81
Block first atom: 1196
Blocpdb> 11 atoms in block 82
Block first atom: 1203
Blocpdb> 16 atoms in block 83
Block first atom: 1214
Blocpdb> 10 atoms in block 84
Block first atom: 1230
Blocpdb> 15 atoms in block 85
Block first atom: 1240
Blocpdb> 16 atoms in block 86
Block first atom: 1255
Blocpdb> 11 atoms in block 87
Block first atom: 1271
Blocpdb> 19 atoms in block 88
Block first atom: 1282
Blocpdb> 14 atoms in block 89
Block first atom: 1301
Blocpdb> 20 atoms in block 90
Block first atom: 1315
Blocpdb> 12 atoms in block 91
Block first atom: 1335
Blocpdb> 17 atoms in block 92
Block first atom: 1347
Blocpdb> 10 atoms in block 93
Block first atom: 1364
Blocpdb> 14 atoms in block 94
Block first atom: 1374
Blocpdb> 19 atoms in block 95
Block first atom: 1388
Blocpdb> 14 atoms in block 96
Block first atom: 1407
Blocpdb> 16 atoms in block 97
Block first atom: 1421
Blocpdb> 22 atoms in block 98
Block first atom: 1437
Blocpdb> 19 atoms in block 99
Block first atom: 1459
Blocpdb> 14 atoms in block 100
Block first atom: 1478
Blocpdb> 12 atoms in block 101
Block first atom: 1492
Blocpdb> 7 atoms in block 102
Block first atom: 1504
Blocpdb> 21 atoms in block 103
Block first atom: 1511
Blocpdb> 15 atoms in block 104
Block first atom: 1532
Blocpdb> 20 atoms in block 105
Block first atom: 1547
Blocpdb> 22 atoms in block 106
Block first atom: 1567
Blocpdb> 20 atoms in block 107
Block first atom: 1589
Blocpdb> 14 atoms in block 108
Block first atom: 1609
Blocpdb> 14 atoms in block 109
Block first atom: 1623
Blocpdb> 24 atoms in block 110
Block first atom: 1637
Blocpdb> 19 atoms in block 111
Block first atom: 1661
Blocpdb> 14 atoms in block 112
Block first atom: 1680
Blocpdb> 19 atoms in block 113
Block first atom: 1694
Blocpdb> 15 atoms in block 114
Block first atom: 1713
Blocpdb> 10 atoms in block 115
Block first atom: 1728
Blocpdb> 19 atoms in block 116
Block first atom: 1738
Blocpdb> 14 atoms in block 117
Block first atom: 1757
Blocpdb> 21 atoms in block 118
Block first atom: 1771
Blocpdb> 17 atoms in block 119
Block first atom: 1792
Blocpdb> 10 atoms in block 120
Block first atom: 1809
Blocpdb> 10 atoms in block 121
Block first atom: 1819
Blocpdb> 12 atoms in block 122
Block first atom: 1829
Blocpdb> 7 atoms in block 123
Block first atom: 1841
Blocpdb> 12 atoms in block 124
Block first atom: 1848
Blocpdb> 20 atoms in block 125
Block first atom: 1860
Blocpdb> 22 atoms in block 126
Block first atom: 1880
Blocpdb> 19 atoms in block 127
Block first atom: 1902
Blocpdb> 22 atoms in block 128
Block first atom: 1921
Blocpdb> 11 atoms in block 129
Block first atom: 1943
Blocpdb> 16 atoms in block 130
Block first atom: 1954
Blocpdb> 10 atoms in block 131
Block first atom: 1970
Blocpdb> 20 atoms in block 132
Block first atom: 1980
Blocpdb> 13 atoms in block 133
Block first atom: 1999
Blocpdb> 133 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> 1443951 matrix lines read.
Prepmat> Matrix order = 6036
Prepmat> Matrix trace = 3182180.0000
Prepmat> Last element read: 6036 6036 152.3282
Prepmat> 8912 lines saved.
Prepmat> 6915 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: 2012
RTB> Total mass = 2012.0000
RTB> Number of atoms found in matrix: 2012
RTB> Number of blocks = 133
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 380138.0059
RTB> 69861 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 = 798
Diagstd> Nb of non-zero elements: 69861
Diagstd> Projected matrix trace = 380138.0059
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 798 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 380138.0059
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 19.1727424 19.4688858 28.9417531 33.8156288
41.7708327 44.7257905 45.1862320 49.4899526 50.3472563
55.3169925 56.8747070 58.7566059 61.4161881 62.2702679
65.0555421 66.5368027 69.9230979 70.3933422 72.0117439
76.3988089 78.1711895 81.8751462 82.7891447 83.9782328
87.5815919 89.2608190 91.3221876 96.4875426 101.1477745
103.0281879 106.5191228 107.2787189 112.4782285 114.6712493
116.3874487 119.0689003 120.4962395 122.4425342 125.3299507
127.5220999 128.5596413 130.2184773 132.0511747 134.8117416
135.3031125 138.6838968 139.4350366 142.3038111 142.6044340
144.5978467 145.1297512 148.4735926 151.0313253 152.6268785
154.2487349 156.5779416 158.5077449 161.8211834 164.2472966
164.5472443 167.3978329 169.4105805 171.7255323 174.4362931
174.6359339 175.4601814 177.8155845 182.0280132 186.0135431
187.3150668 189.6500562 190.2051636 191.4031740 192.3464085
194.0144758 195.5855402 196.4377022 197.5813153 200.0237078
200.3489829 202.6551147 203.3182485 204.3082565 208.2235321
209.3379058 210.7842202 211.4861867 212.9431164 213.0549512
214.7844801 215.4315587 217.5355147 218.8171651 220.8088310
221.6169863 224.6474791 226.4374798 226.7709665 227.3092715
229.9196812
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034301 0.0034321 0.0034325 0.0034327 0.0034342
0.0034376 475.4856326 479.1437521 584.1948142 631.4718771
701.8298681 726.2301802 729.9587928 763.9304110 770.5187023
807.6525346 818.9452467 832.3838215 851.0140086 856.9108612
875.8655208 885.7807628 908.0413192 911.0895658 921.5034050
949.1581345 960.1047992 982.5877028 988.0569519 995.1273117
1016.2526655 1025.9488615 1037.7277570 1066.6720199 1092.1277597
1102.2327503 1120.7508347 1124.7398160 1151.6738718 1162.8469341
1171.5163507 1184.9347925 1192.0158412 1201.6041930 1215.6896370
1226.2753773 1231.2538633 1239.1719856 1247.8615834 1260.8375662
1263.1332688 1278.8166979 1282.2751849 1295.3989657 1296.7665364
1305.7985834 1308.1980749 1323.1829282 1334.5314006 1341.5621331
1348.6712068 1358.8157434 1367.1637162 1381.3793730 1391.6960524
1392.9662273 1404.9801744 1413.4014925 1423.0256093 1434.2131652
1435.0336529 1438.4162056 1448.0387740 1465.0903059 1481.0426418
1486.2149856 1495.4495560 1497.6365540 1502.3455948 1506.0428238
1512.5590821 1518.6708332 1521.9756456 1526.3995046 1535.8047874
1537.0530298 1545.8739003 1548.4010606 1552.1662610 1566.9682068
1571.1556731 1576.5738834 1579.1969027 1584.6271152 1585.0431729
1591.4636690 1593.8591578 1601.6232519 1606.3344513 1613.6282909
1616.5785153 1627.5939058 1634.0654089 1635.2682540 1637.2079895
1646.5819663
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2012
Rtb_to_modes> Number of blocs = 133
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: 9.9776E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9893E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9917E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9929E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0021E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 19.17
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 19.47
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 28.94
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 33.82
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 41.77
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 44.73
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 45.19
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 49.49
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 50.35
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 55.32
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 56.87
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 58.76
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 61.42
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 62.27
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 65.06
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 66.54
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 69.92
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 70.39
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 72.01
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 76.40
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 78.17
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 81.88
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 82.79
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 83.98
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 87.58
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 89.26
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 91.32
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 96.49
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 101.1
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 103.0
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 106.5
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 107.3
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 112.5
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 114.7
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 116.4
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 119.1
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 120.5
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 122.4
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 125.3
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 127.5
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 128.6
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 130.2
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 132.1
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 134.8
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 135.3
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 138.7
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 139.4
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 142.3
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 142.6
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 144.6
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 145.1
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 148.5
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 151.0
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 152.6
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 154.2
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 156.6
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 158.5
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 161.8
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 164.2
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 164.5
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 167.4
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 169.4
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 171.7
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 174.4
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 174.6
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 175.5
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 177.8
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 182.0
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 186.0
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 187.3
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 189.7
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 190.2
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 191.4
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 192.3
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 194.0
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 195.6
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 196.4
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 197.6
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 200.0
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 200.3
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 202.7
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 203.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 204.3
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 208.2
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 209.3
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 210.8
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 211.5
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 212.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 213.1
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 214.8
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 215.4
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 217.5
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 218.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 220.8
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 221.6
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 224.6
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 226.4
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 226.8
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 227.3
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 229.9
Rtb_to_modes> 106 vectors, with 798 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 0.99998 1.00001 0.99996 0.99999
0.99999 1.00000 0.99999 1.00005 1.00000
1.00000 1.00001 0.99998 1.00000 0.99996
0.99997 0.99997 0.99998 0.99995 1.00001
0.99995 1.00000 0.99999 0.99999 1.00001
1.00004 1.00002 1.00002 1.00001 1.00002
1.00000 1.00002 0.99997 1.00001 1.00004
1.00002 0.99997 1.00000 1.00000 1.00003
1.00001 1.00001 0.99999 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 0.99998
0.99996 0.99998 0.99998 1.00002 0.99999
1.00003 1.00001 1.00002 1.00000 1.00001
0.99996 0.99998 1.00000 0.99997 0.99996
1.00002 1.00000 1.00000 1.00000 1.00000
1.00001 1.00003 0.99999 1.00001 1.00002
0.99999 1.00001 1.00000 1.00000 1.00002
1.00000 1.00000 0.99998 1.00000 1.00000
1.00002 0.99999 0.99999 0.99999 0.99998
1.00001 1.00002 1.00004 1.00001 1.00000
1.00000 1.00002 1.00001 1.00000 0.99999
1.00002 1.00000 0.99997 1.00000 0.99999
1.00003
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 36216 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 0.99998 1.00001 0.99996 0.99999
0.99999 1.00000 0.99999 1.00005 1.00000
1.00000 1.00001 0.99998 1.00000 0.99996
0.99997 0.99997 0.99998 0.99995 1.00001
0.99995 1.00000 0.99999 0.99999 1.00001
1.00004 1.00002 1.00002 1.00001 1.00002
1.00000 1.00002 0.99997 1.00001 1.00004
1.00002 0.99997 1.00000 1.00000 1.00003
1.00001 1.00001 0.99999 0.99999 1.00000
1.00000 0.99999 1.00001 1.00000 0.99998
0.99996 0.99998 0.99998 1.00002 0.99999
1.00003 1.00001 1.00002 1.00000 1.00001
0.99996 0.99998 1.00000 0.99997 0.99996
1.00002 1.00000 1.00000 1.00000 1.00000
1.00001 1.00003 0.99999 1.00001 1.00002
0.99999 1.00001 1.00000 1.00000 1.00002
1.00000 1.00000 0.99998 1.00000 1.00000
1.00002 0.99999 0.99999 0.99999 0.99998
1.00001 1.00002 1.00004 1.00001 1.00000
1.00000 1.00002 1.00001 1.00000 0.99999
1.00002 1.00000 0.99997 1.00000 0.99999
1.00003
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> 2404032043392226964.eigenfacs
Openam> file on opening on unit 10:
2404032043392226964.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404032043392226964.atom
Openam> file on opening on unit 11:
2404032043392226964.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 = 133
First residue number = 1001
Last residue number = 1134
Number of atoms found = 2012
Mean number per residue = 15.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9776E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9893E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9917E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9929E-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: 1.0021E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 19.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 19.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 28.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 33.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 41.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 44.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 45.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 49.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 50.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 55.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 56.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 58.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 61.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 62.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 65.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 66.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 69.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 70.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 72.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 76.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 78.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 81.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 82.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 83.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 87.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 89.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 91.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 96.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 101.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 103.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 106.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 107.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 112.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 114.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 116.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 119.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 120.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 125.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 127.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 128.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 130.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 132.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 134.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 135.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 138.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 139.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 142.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 142.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 144.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 145.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 148.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 151.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 152.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 154.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 156.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 158.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 161.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 164.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 164.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 167.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 169.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 171.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 174.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 174.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 175.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 177.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 182.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 186.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 187.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 189.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 190.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 191.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 192.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 194.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 195.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 196.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 197.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 200.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 200.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 202.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 203.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 204.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 208.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 209.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 210.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 211.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 212.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 213.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 214.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 215.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 217.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 218.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 220.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 221.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 224.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 226.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 226.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 227.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 229.9
Bfactors> 106 vectors, 6036 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 : 19.170000
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= 0.578 for 133 C-alpha atoms.
Bfactors> = 0.006 +/- 0.01
Bfactors> = 17.373 +/- 6.18
Bfactors> Shiftng-fct= 17.367
Bfactors> Scaling-fct= 887.051
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404032043392226964 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=0
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=100
2404032043392226964.eigenfacs
2404032043392226964.atom
making animated gifs
11 models are in 2404032043392226964.7.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 2404032043392226964.7.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 2404032043392226964.7.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 2404032043392226964 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=0
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=100
2404032043392226964.eigenfacs
2404032043392226964.atom
making animated gifs
11 models are in 2404032043392226964.8.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 2404032043392226964.8.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 2404032043392226964.8.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 2404032043392226964 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=0
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=100
2404032043392226964.eigenfacs
2404032043392226964.atom
making animated gifs
11 models are in 2404032043392226964.9.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 2404032043392226964.9.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 2404032043392226964.9.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 2404032043392226964 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=0
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=100
2404032043392226964.eigenfacs
2404032043392226964.atom
making animated gifs
11 models are in 2404032043392226964.10.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 2404032043392226964.10.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 2404032043392226964.10.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 2404032043392226964 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=-20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=0
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=20
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=40
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=60
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=80
2404032043392226964.eigenfacs
2404032043392226964.atom
calculating perturbed structure for DQ=100
2404032043392226964.eigenfacs
2404032043392226964.atom
making animated gifs
11 models are in 2404032043392226964.11.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 2404032043392226964.11.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 2404032043392226964.11.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
2404032043392226964.10.pdb
2404032043392226964.11.pdb
2404032043392226964.7.pdb
2404032043392226964.8.pdb
2404032043392226964.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m8.935s
user 0m8.875s
sys 0m0.060s
../../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: 2404032043392226964.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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