***  FXIa G226A  ***
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 = 2602071245243314933.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 2602071245243314933.atom to be opened.
Openam> File opened: 2602071245243314933.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 = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1891
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= 0.960564 +/- 10.299710 From: -24.626000 To: 26.614000
= 0.594718 +/- 10.479959 From: -27.154000 To: 24.384000
= -0.624332 +/- 8.481249 From: -20.871000 To: 21.285000
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 4.3628 % Filled.
Pdbmat> 702163 non-zero elements.
Pdbmat> 76773 atom-atom interactions.
Pdbmat> Number per atom= 81.20 +/- 24.93
Maximum number = 128
Minimum number = 11
Pdbmat> Matrix trace = 1.535460E+06
Pdbmat> Larger element = 470.628
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
238 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2602071245243314933.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2602071245243314933.atom to be opened.
Openam> file on opening on unit 11:
2602071245243314933.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1891 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 238 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 16
Blocpdb> 12 atoms in block 3
Block first atom: 24
Blocpdb> 13 atoms in block 4
Block first atom: 36
Blocpdb> 15 atoms in block 5
Block first atom: 49
Blocpdb> 23 atoms in block 6
Block first atom: 64
Blocpdb> 21 atoms in block 7
Block first atom: 87
Blocpdb> 16 atoms in block 8
Block first atom: 108
Blocpdb> 15 atoms in block 9
Block first atom: 124
Blocpdb> 17 atoms in block 10
Block first atom: 139
Blocpdb> 13 atoms in block 11
Block first atom: 156
Blocpdb> 14 atoms in block 12
Block first atom: 169
Blocpdb> 20 atoms in block 13
Block first atom: 183
Blocpdb> 18 atoms in block 14
Block first atom: 203
Blocpdb> 10 atoms in block 15
Block first atom: 221
Blocpdb> 10 atoms in block 16
Block first atom: 231
Blocpdb> 16 atoms in block 17
Block first atom: 241
Blocpdb> 12 atoms in block 18
Block first atom: 257
Blocpdb> 23 atoms in block 19
Block first atom: 269
Blocpdb> 16 atoms in block 20
Block first atom: 292
Blocpdb> 12 atoms in block 21
Block first atom: 308
Blocpdb> 15 atoms in block 22
Block first atom: 320
Blocpdb> 17 atoms in block 23
Block first atom: 335
Blocpdb> 16 atoms in block 24
Block first atom: 352
Blocpdb> 16 atoms in block 25
Block first atom: 368
Blocpdb> 13 atoms in block 26
Block first atom: 384
Blocpdb> 17 atoms in block 27
Block first atom: 397
Blocpdb> 19 atoms in block 28
Block first atom: 414
Blocpdb> 19 atoms in block 29
Block first atom: 433
Blocpdb> 10 atoms in block 30
Block first atom: 452
Blocpdb> 16 atoms in block 31
Block first atom: 462
Blocpdb> 18 atoms in block 32
Block first atom: 478
Blocpdb> 15 atoms in block 33
Block first atom: 496
Blocpdb> 17 atoms in block 34
Block first atom: 511
Blocpdb> 17 atoms in block 35
Block first atom: 528
Blocpdb> 13 atoms in block 36
Block first atom: 545
Blocpdb> 22 atoms in block 37
Block first atom: 558
Blocpdb> 11 atoms in block 38
Block first atom: 580
Blocpdb> 18 atoms in block 39
Block first atom: 591
Blocpdb> 16 atoms in block 40
Block first atom: 609
Blocpdb> 18 atoms in block 41
Block first atom: 625
Blocpdb> 17 atoms in block 42
Block first atom: 643
Blocpdb> 21 atoms in block 43
Block first atom: 660
Blocpdb> 13 atoms in block 44
Block first atom: 681
Blocpdb> 15 atoms in block 45
Block first atom: 694
Blocpdb> 16 atoms in block 46
Block first atom: 709
Blocpdb> 16 atoms in block 47
Block first atom: 725
Blocpdb> 13 atoms in block 48
Block first atom: 741
Blocpdb> 17 atoms in block 49
Block first atom: 754
Blocpdb> 17 atoms in block 50
Block first atom: 771
Blocpdb> 14 atoms in block 51
Block first atom: 788
Blocpdb> 16 atoms in block 52
Block first atom: 802
Blocpdb> 19 atoms in block 53
Block first atom: 818
Blocpdb> 14 atoms in block 54
Block first atom: 837
Blocpdb> 20 atoms in block 55
Block first atom: 851
Blocpdb> 15 atoms in block 56
Block first atom: 871
Blocpdb> 14 atoms in block 57
Block first atom: 886
Blocpdb> 13 atoms in block 58
Block first atom: 900
Blocpdb> 13 atoms in block 59
Block first atom: 913
Blocpdb> 19 atoms in block 60
Block first atom: 926
Blocpdb> 15 atoms in block 61
Block first atom: 945
Blocpdb> 20 atoms in block 62
Block first atom: 960
Blocpdb> 15 atoms in block 63
Block first atom: 980
Blocpdb> 20 atoms in block 64
Block first atom: 995
Blocpdb> 14 atoms in block 65
Block first atom: 1015
Blocpdb> 18 atoms in block 66
Block first atom: 1029
Blocpdb> 16 atoms in block 67
Block first atom: 1047
Blocpdb> 20 atoms in block 68
Block first atom: 1063
Blocpdb> 19 atoms in block 69
Block first atom: 1083
Blocpdb> 17 atoms in block 70
Block first atom: 1102
Blocpdb> 17 atoms in block 71
Block first atom: 1119
Blocpdb> 15 atoms in block 72
Block first atom: 1136
Blocpdb> 17 atoms in block 73
Block first atom: 1151
Blocpdb> 14 atoms in block 74
Block first atom: 1168
Blocpdb> 17 atoms in block 75
Block first atom: 1182
Blocpdb> 15 atoms in block 76
Block first atom: 1199
Blocpdb> 14 atoms in block 77
Block first atom: 1214
Blocpdb> 17 atoms in block 78
Block first atom: 1228
Blocpdb> 15 atoms in block 79
Block first atom: 1245
Blocpdb> 18 atoms in block 80
Block first atom: 1260
Blocpdb> 23 atoms in block 81
Block first atom: 1278
Blocpdb> 15 atoms in block 82
Block first atom: 1301
Blocpdb> 19 atoms in block 83
Block first atom: 1316
Blocpdb> 15 atoms in block 84
Block first atom: 1335
Blocpdb> 19 atoms in block 85
Block first atom: 1350
Blocpdb> 16 atoms in block 86
Block first atom: 1369
Blocpdb> 11 atoms in block 87
Block first atom: 1385
Blocpdb> 16 atoms in block 88
Block first atom: 1396
Blocpdb> 20 atoms in block 89
Block first atom: 1412
Blocpdb> 8 atoms in block 90
Block first atom: 1432
Blocpdb> 17 atoms in block 91
Block first atom: 1440
Blocpdb> 11 atoms in block 92
Block first atom: 1457
Blocpdb> 13 atoms in block 93
Block first atom: 1468
Blocpdb> 14 atoms in block 94
Block first atom: 1481
Blocpdb> 8 atoms in block 95
Block first atom: 1495
Blocpdb> 15 atoms in block 96
Block first atom: 1503
Blocpdb> 12 atoms in block 97
Block first atom: 1518
Blocpdb> 19 atoms in block 98
Block first atom: 1530
Blocpdb> 17 atoms in block 99
Block first atom: 1549
Blocpdb> 21 atoms in block 100
Block first atom: 1566
Blocpdb> 18 atoms in block 101
Block first atom: 1587
Blocpdb> 11 atoms in block 102
Block first atom: 1605
Blocpdb> 15 atoms in block 103
Block first atom: 1616
Blocpdb> 20 atoms in block 104
Block first atom: 1631
Blocpdb> 13 atoms in block 105
Block first atom: 1651
Blocpdb> 10 atoms in block 106
Block first atom: 1664
Blocpdb> 14 atoms in block 107
Block first atom: 1674
Blocpdb> 20 atoms in block 108
Block first atom: 1688
Blocpdb> 18 atoms in block 109
Block first atom: 1708
Blocpdb> 12 atoms in block 110
Block first atom: 1726
Blocpdb> 19 atoms in block 111
Block first atom: 1738
Blocpdb> 15 atoms in block 112
Block first atom: 1757
Blocpdb> 16 atoms in block 113
Block first atom: 1772
Blocpdb> 19 atoms in block 114
Block first atom: 1788
Blocpdb> 22 atoms in block 115
Block first atom: 1807
Blocpdb> 16 atoms in block 116
Block first atom: 1829
Blocpdb> 18 atoms in block 117
Block first atom: 1845
Blocpdb> 16 atoms in block 118
Block first atom: 1863
Blocpdb> 13 atoms in block 119
Block first atom: 1878
Blocpdb> 119 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 8 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> 702282 matrix lines read.
Prepmat> Matrix order = 5673
Prepmat> Matrix trace = 1535460.0000
Prepmat> Last element read: 5673 5673 25.2803
Prepmat> 7141 lines saved.
Prepmat> 5804 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: 1891
RTB> Total mass = 1891.0000
RTB> Number of atoms found in matrix: 1891
RTB> Number of blocks = 119
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 163809.8424
RTB> 46311 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 = 714
Diagstd> Nb of non-zero elements: 46311
Diagstd> Projected matrix trace = 163809.8424
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 714 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 163809.8424
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 4.9863923 5.9276262 7.0763104 7.4283184
9.1639655 10.1430026 10.5472296 11.2854644 12.3224774
13.2717666 14.1646976 14.6443089 15.9109083 16.6427277
17.8029861 17.9405495 18.8200976 19.4061777 20.4352541
20.8346748 21.3672355 23.0303290 24.0221077 25.3988200
26.0131228 26.7362091 27.5306189 27.8615608 28.3566456
30.3139188 30.4364557 31.5827743 32.2266478 33.7522158
33.8191170 34.8390234 35.3948874 36.9513173 37.3151350
38.3118320 38.6151560 39.4104347 39.7960065 41.0745196
41.5148698 42.5762303 43.1143709 43.9742949 44.4448144
44.5213541 46.5691264 47.2651263 47.5770882 49.2421450
50.1076746 51.5181108 52.4893836 53.5531729 54.0265087
54.7194256 55.3457493 56.4771195 56.5721264 57.6381171
58.1087621 58.6117625 59.7427613 60.0434036 60.8426604
61.5840578 62.8523381 63.5208365 64.1657454 65.4731924
65.9804503 67.1048711 67.3438875 67.6328433 69.3078971
69.4637133 70.5671780 72.2454933 72.6596047 72.9591951
74.6358969 75.4623224 75.6217443 76.2982509 77.3652153
77.8443336 78.4370792 79.0856196 79.5550227 80.7062250
81.6663833 81.9242655 83.1054643 83.5341160 84.0382406
85.6329308
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034322 0.0034342 0.0034343 0.0034348 0.0034349
0.0034358 242.4870222 264.3843129 288.8675238 295.9651223
328.7282304 345.8426479 352.6667217 364.8001406 381.1924552
395.6030649 408.6946320 415.5561560 433.1544368 443.0038841
458.1858850 459.9526774 471.0925275 478.3714824 490.8912620
495.6654446 501.9603909 521.1291321 532.2318197 547.2705152
553.8491907 561.4940969 569.7748396 573.1892026 578.2594093
597.8831609 599.0903433 610.2677484 616.4570825 630.8795131
631.5044459 640.9560726 646.0491324 660.1007759 663.3424478
672.1430930 674.7986066 681.7119282 685.0385734 695.9555883
699.6762305 708.5636741 713.0275442 720.1031700 723.9454263
724.5685221 741.0445638 746.5616754 749.0213723 762.0154235
768.6832268 779.4266386 786.7396111 794.6719498 798.1761232
803.2783186 807.8624387 816.0777732 816.7638955 824.4231394
827.7822168 831.3572161 839.3400105 841.4492576 847.0311422
852.1762588 860.9065248 865.4727226 869.8550764 878.6725092
882.0697281 889.5539727 891.1367858 893.0465626 904.0379072
905.0535539 912.2138364 922.9977892 925.6393222 927.5456592
938.1432503 943.3228700 944.3187776 948.5332760 955.1424550
958.0954613 961.7362525 965.7040238 968.5656937 975.5483464
981.3342164 982.8823998 989.9427296 992.4924705 995.4827892
1004.8834283
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1891
Rtb_to_modes> Number of blocs = 119
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: 9.9898E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0011E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 4.986
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 5.928
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 7.076
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.428
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 9.164
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 10.14
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 10.55
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 11.29
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 12.32
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 13.27
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 14.16
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 14.64
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 15.91
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 16.64
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 17.80
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 17.94
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 18.82
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 19.41
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 20.44
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 20.83
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 21.37
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 23.03
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 24.02
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 25.40
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 26.01
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 26.74
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 27.53
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 27.86
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 28.36
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 30.31
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 30.44
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 31.58
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 32.23
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 33.75
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 33.82
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 34.84
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 35.39
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 36.95
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 37.32
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 38.31
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 38.62
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 39.41
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 39.80
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 41.07
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 41.51
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 42.58
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 43.11
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 43.97
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 44.44
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 44.52
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 46.57
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 47.27
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 47.58
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 49.24
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 50.11
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 51.52
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 52.49
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 53.55
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 54.03
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 54.72
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 55.35
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 56.48
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 56.57
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 57.64
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 58.11
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 58.61
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 59.74
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 60.04
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 60.84
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 61.58
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 62.85
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 63.52
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 64.17
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 65.47
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 65.98
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 67.10
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 67.34
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 67.63
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 69.31
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 69.46
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 70.57
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 72.25
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 72.66
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 72.96
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 74.64
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 75.46
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 75.62
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 76.30
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 77.37
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 77.84
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 78.44
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 79.09
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 79.56
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 80.71
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 81.67
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 81.92
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 83.11
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 83.53
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 84.04
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 85.63
Rtb_to_modes> 106 vectors, with 714 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 0.99998 1.00002 1.00000 1.00001
1.00001 0.99994 1.00002 0.99999 1.00000
1.00001 0.99999 1.00003 0.99998 0.99999
0.99997 1.00002 1.00001 1.00001 0.99998
0.99999 0.99999 1.00001 1.00002 1.00002
1.00000 0.99998 1.00001 0.99999 0.99997
1.00002 1.00001 0.99997 1.00002 0.99998
1.00001 0.99998 0.99999 0.99998 1.00000
1.00000 0.99999 1.00003 0.99998 0.99997
1.00001 1.00000 1.00004 1.00000 0.99999
1.00000 1.00000 1.00002 0.99999 1.00001
1.00001 0.99999 1.00000 0.99995 1.00000
1.00001 1.00000 0.99997 1.00000 1.00000
0.99997 1.00001 1.00000 1.00001 1.00000
1.00000 1.00000 0.99999 0.99998 1.00000
1.00001 1.00001 1.00000 0.99997 1.00006
0.99999 0.99998 1.00001 0.99998 0.99998
1.00001 1.00003 0.99996 1.00001 1.00000
0.99998 1.00003 1.00000 1.00000 1.00001
0.99998 1.00000 1.00000 1.00000 1.00001
0.99998 0.99998 1.00003 1.00001 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 34038 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 0.99998 1.00002 1.00000 1.00001
1.00001 0.99994 1.00002 0.99999 1.00000
1.00001 0.99999 1.00003 0.99998 0.99999
0.99997 1.00002 1.00001 1.00001 0.99998
0.99999 0.99999 1.00001 1.00002 1.00002
1.00000 0.99998 1.00001 0.99999 0.99997
1.00002 1.00001 0.99997 1.00002 0.99998
1.00001 0.99998 0.99999 0.99998 1.00000
1.00000 0.99999 1.00003 0.99998 0.99997
1.00001 1.00000 1.00004 1.00000 0.99999
1.00000 1.00000 1.00002 0.99999 1.00001
1.00001 0.99999 1.00000 0.99995 1.00000
1.00001 1.00000 0.99997 1.00000 1.00000
0.99997 1.00001 1.00000 1.00001 1.00000
1.00000 1.00000 0.99999 0.99998 1.00000
1.00001 1.00001 1.00000 0.99997 1.00006
0.99999 0.99998 1.00001 0.99998 0.99998
1.00001 1.00003 0.99996 1.00001 1.00000
0.99998 1.00003 1.00000 1.00000 1.00001
0.99998 1.00000 1.00000 1.00000 1.00001
0.99998 0.99998 1.00003 1.00001 0.99999
1.00000
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3: 0.000 0.000
Vector 4:-0.000-0.000 0.000
Vector 5:-0.000-0.000-0.000 0.000
Vector 6:-0.000-0.000 0.000-0.000-0.000
Vector 7:-0.000 0.000 0.000 0.000-0.000 0.000
Vector 8:-0.000-0.000-0.000 0.000 0.000 0.000-0.000
Vector 9: 0.000 0.000-0.000 0.000-0.000-0.000 0.000 0.000
Vector 10: 0.000 0.000 0.000 0.000-0.000 0.000-0.000-0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602071245243314933.eigenfacs
Openam> file on opening on unit 10:
2602071245243314933.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2602071245243314933.atom
Openam> file on opening on unit 11:
2602071245243314933.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 = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1891
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9898E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-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: 4.986
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 5.928
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 7.076
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.428
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 9.164
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 10.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 10.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 11.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 12.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 13.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 14.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 14.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 15.91
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 16.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 17.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 17.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 18.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 19.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 20.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 20.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 21.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 23.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 24.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 25.40
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 26.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 26.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 27.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 27.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 28.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 30.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 30.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 31.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 32.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 33.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 33.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 34.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 35.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 36.95
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 37.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 38.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 38.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 39.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 39.80
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 41.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 41.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 42.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 43.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 43.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 44.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 44.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 46.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 47.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 47.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 49.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 50.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 51.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 52.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 53.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 54.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 54.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 55.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 56.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 56.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 57.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 58.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 58.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 59.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 60.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 60.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 61.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 62.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 63.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 64.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 65.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 65.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 67.10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 67.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 67.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 69.31
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 69.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 70.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 72.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 72.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 72.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 74.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 75.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 75.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 76.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 77.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 77.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 78.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 79.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 79.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 80.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 81.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 81.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 83.11
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 83.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 84.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 85.63
Bfactors> 106 vectors, 5673 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 : 4.986000
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= -0.595 for 238 C-alpha atoms.
Bfactors> = 0.021 +/- 0.02
Bfactors> = 97.818 +/- 3.04
Bfactors> Shiftng-fct= 97.798
Bfactors> Scaling-fct= 133.236
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602071245243314933.eigenfacs
Openam> file on opening on unit 10:
2602071245243314933.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4321E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4340E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4342E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4347E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4357E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 242.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 264.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 288.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 295.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 328.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 345.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 352.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 364.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 381.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 395.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 408.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 415.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 433.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 442.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 458.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 459.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 471.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 478.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 490.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 495.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 502.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 521.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 532.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 547.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 553.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 561.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 569.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 573.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 578.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 597.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 599.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 610.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 616.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 630.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 631.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 640.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 646.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 660.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 663.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 672.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 674.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 681.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 685.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 695.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 699.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 708.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 713.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 720.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 723.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 724.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 741.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 746.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 749.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 762.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 768.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 779.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 786.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 794.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 798.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 803.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 807.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 816.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 816.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 824.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 827.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 831.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 839.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 841.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 847.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 852.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 860.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 865.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 869.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 878.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 882.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 889.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 891.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 893.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 904.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 905.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 912.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 923.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 925.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 927.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 938.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 943.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 944.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 948.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 955.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 958.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 961.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 965.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 968.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 975.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 981.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 982.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 989.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 992.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 995.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 1005.
Chkmod> 106 vectors, 5673 coordinates in file.
Chkmod> That is: 1891 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 7 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 59 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 80 is: 1.0001 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.7218
0.0034 0.8401
0.0034 0.7856
0.0034 0.9754
0.0034 0.6959
0.0034 0.7713
242.4671 0.4132
264.3813 0.4326
288.8488 0.0145
295.9461 0.1470
328.7147 0.2412
345.7766 0.3443
352.6979 0.1809
364.8578 0.0680
381.1378 0.2233
395.5598 0.2698
408.6093 0.1895
415.4772 0.3649
433.1235 0.2770
442.9486 0.4679
458.1278 0.4292
459.9259 0.1158
471.0711 0.5886
478.3981 0.3004
490.9272 0.2593
495.5886 0.5787
501.9713 0.3160
521.1030 0.3151
532.1856 0.2398
547.2597 0.3981
553.7922 0.0797
561.5098 0.3144
569.7440 0.2921
573.1485 0.4319
578.2688 0.4339
597.8189 0.5664
599.0995 0.4815
610.2147 0.4081
616.4627 0.4139
630.8317 0.2789
631.4856 0.3864
640.9375 0.4077
645.9768 0.3896
660.0607 0.3348
663.3572 0.1728
672.0982 0.5016
674.8120 0.3319
681.6789 0.3317
685.0435 0.4478
695.8874 0.4112
699.6052 0.4713
708.5646 0.1896
712.9608 0.3567
720.0371 0.3633
723.8751 0.4939
724.5264 0.4630
741.0197 0.3956
746.5681 0.3924
749.0121 0.3672
761.9661 0.4573
768.6681 0.3444
779.4075 0.5120
786.7105 0.3583
794.6143 0.3708
798.1676 0.3428
803.2481 0.3100
807.8588 0.3570
816.0636 0.4477
816.7135 0.4339
824.4012 0.2519
827.7555 0.3327
831.3090 0.4132
839.2846 0.4573
841.3893 0.2744
846.9763 0.4041
852.1116 0.3369
860.8536 0.3294
865.4299 0.3544
869.8466 0.3957
878.6134 0.3856
882.0289 0.4415
889.4835 0.3508
891.0728 0.4023
892.9895 0.4101
904.0128 0.3383
904.9905 0.4596
912.1929 0.2928
922.9870 0.4125
925.6021 0.3917
927.5110 0.4468
938.1288 0.5284
943.2679 0.4356
944.2673 0.4175
948.5034 0.4541
955.1310 0.3747
958.0277 0.4607
961.7129 0.4740
965.6893 0.3244
968.5544 0.4680
975.5293 0.4513
981.3138 0.4810
982.8146 0.4647
989.9272 0.4524
992.4254 0.3494
995.4505 0.5232
1004.8231 0.4005
getting mode 7
running: ../../bin/get_modes.sh 2602071245243314933 7 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2602071245243314933 8 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2602071245243314933 9 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2602071245243314933 10 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2602071245243314933 11 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2602071245243314933 12 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2602071245243314933 13 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2602071245243314933 14 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2602071245243314933 15 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2602071245243314933 16 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2602071245243314933 17 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2602071245243314933 18 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2602071245243314933 19 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2602071245243314933 20 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2602071245243314933 21 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2602071245243314933 22 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2602071245243314933 23 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2602071245243314933 24 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2602071245243314933 25 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2602071245243314933 26 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2602071245243314933 27 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2602071245243314933 28 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2602071245243314933 29 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2602071245243314933 30 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2602071245243314933 31 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=-50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=0
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=50
2602071245243314933.eigenfacs
2602071245243314933.atom
calculating perturbed structure for DQ=100
2602071245243314933.eigenfacs
2602071245243314933.atom
making animated gifs
5 models are in 2602071245243314933.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602071245243314933.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2602071245243314933.10.pdb
2602071245243314933.11.pdb
2602071245243314933.12.pdb
2602071245243314933.13.pdb
2602071245243314933.14.pdb
2602071245243314933.15.pdb
2602071245243314933.16.pdb
2602071245243314933.17.pdb
2602071245243314933.18.pdb
2602071245243314933.19.pdb
2602071245243314933.20.pdb
2602071245243314933.21.pdb
2602071245243314933.22.pdb
2602071245243314933.23.pdb
2602071245243314933.24.pdb
2602071245243314933.25.pdb
2602071245243314933.26.pdb
2602071245243314933.27.pdb
2602071245243314933.28.pdb
2602071245243314933.29.pdb
2602071245243314933.30.pdb
2602071245243314933.31.pdb
2602071245243314933.7.pdb
2602071245243314933.8.pdb
2602071245243314933.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m7.526s
user 0m7.473s
sys 0m0.051s
rm: cannot remove '2602071245243314933.sdijf': No such file or directory
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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).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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