*** testNMAJB ***
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 = 2404031516062184733.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 2404031516062184733.atom to be opened.
Openam> File opened: 2404031516062184733.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 = 323
First residue number = 1
Last residue number = 323
Number of atoms found = 5127
Mean number per residue = 15.9
Pdbmat> Coordinate statistics:
= 43.639126 +/- 10.883291 From: 18.440000 To: 70.940000
= 78.213341 +/- 12.251963 From: 47.930000 To: 106.060000
= 19.018605 +/- 11.092050 From: -8.820000 To: 43.070000
Pdbmat> Masses are all set to one.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 3.1029 % Filled.
Pdbmat> 3670563 non-zero elements.
Pdbmat> 405064 atom-atom interactions.
Pdbmat> Number per atom= 158.01 +/- 48.75
Maximum number = 250
Minimum number = 24
Pdbmat> Matrix trace = 8.101280E+06
Pdbmat> Larger element = 870.803
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
323 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 = 2404031516062184733.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 2404031516062184733.atom to be opened.
Openam> file on opening on unit 11:
2404031516062184733.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5127 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> 323 residues.
Blocpdb> 26 atoms in block 1
Block first atom: 1
Blocpdb> 24 atoms in block 2
Block first atom: 27
Blocpdb> 27 atoms in block 3
Block first atom: 51
Blocpdb> 21 atoms in block 4
Block first atom: 78
Blocpdb> 25 atoms in block 5
Block first atom: 99
Blocpdb> 31 atoms in block 6
Block first atom: 124
Blocpdb> 43 atoms in block 7
Block first atom: 155
Blocpdb> 28 atoms in block 8
Block first atom: 198
Blocpdb> 38 atoms in block 9
Block first atom: 226
Blocpdb> 24 atoms in block 10
Block first atom: 264
Blocpdb> 27 atoms in block 11
Block first atom: 288
Blocpdb> 41 atoms in block 12
Block first atom: 315
Blocpdb> 21 atoms in block 13
Block first atom: 356
Blocpdb> 30 atoms in block 14
Block first atom: 377
Blocpdb> 38 atoms in block 15
Block first atom: 407
Blocpdb> 43 atoms in block 16
Block first atom: 445
Blocpdb> 28 atoms in block 17
Block first atom: 488
Blocpdb> 33 atoms in block 18
Block first atom: 516
Blocpdb> 34 atoms in block 19
Block first atom: 549
Blocpdb> 30 atoms in block 20
Block first atom: 583
Blocpdb> 33 atoms in block 21
Block first atom: 613
Blocpdb> 18 atoms in block 22
Block first atom: 646
Blocpdb> 29 atoms in block 23
Block first atom: 664
Blocpdb> 31 atoms in block 24
Block first atom: 693
Blocpdb> 35 atoms in block 25
Block first atom: 724
Blocpdb> 30 atoms in block 26
Block first atom: 759
Blocpdb> 36 atoms in block 27
Block first atom: 789
Blocpdb> 33 atoms in block 28
Block first atom: 825
Blocpdb> 33 atoms in block 29
Block first atom: 858
Blocpdb> 28 atoms in block 30
Block first atom: 891
Blocpdb> 30 atoms in block 31
Block first atom: 919
Blocpdb> 35 atoms in block 32
Block first atom: 949
Blocpdb> 38 atoms in block 33
Block first atom: 984
Blocpdb> 36 atoms in block 34
Block first atom: 1022
Blocpdb> 33 atoms in block 35
Block first atom: 1058
Blocpdb> 32 atoms in block 36
Block first atom: 1091
Blocpdb> 33 atoms in block 37
Block first atom: 1123
Blocpdb> 30 atoms in block 38
Block first atom: 1156
Blocpdb> 38 atoms in block 39
Block first atom: 1186
Blocpdb> 30 atoms in block 40
Block first atom: 1224
Blocpdb> 35 atoms in block 41
Block first atom: 1254
Blocpdb> 46 atoms in block 42
Block first atom: 1289
Blocpdb> 27 atoms in block 43
Block first atom: 1335
Blocpdb> 31 atoms in block 44
Block first atom: 1362
Blocpdb> 29 atoms in block 45
Block first atom: 1393
Blocpdb> 28 atoms in block 46
Block first atom: 1422
Blocpdb> 29 atoms in block 47
Block first atom: 1450
Blocpdb> 36 atoms in block 48
Block first atom: 1479
Blocpdb> 22 atoms in block 49
Block first atom: 1515
Blocpdb> 23 atoms in block 50
Block first atom: 1537
Blocpdb> 45 atoms in block 51
Block first atom: 1560
Blocpdb> 31 atoms in block 52
Block first atom: 1605
Blocpdb> 43 atoms in block 53
Block first atom: 1636
Blocpdb> 29 atoms in block 54
Block first atom: 1679
Blocpdb> 34 atoms in block 55
Block first atom: 1708
Blocpdb> 34 atoms in block 56
Block first atom: 1742
Blocpdb> 18 atoms in block 57
Block first atom: 1776
Blocpdb> 37 atoms in block 58
Block first atom: 1794
Blocpdb> 33 atoms in block 59
Block first atom: 1831
Blocpdb> 37 atoms in block 60
Block first atom: 1864
Blocpdb> 33 atoms in block 61
Block first atom: 1901
Blocpdb> 33 atoms in block 62
Block first atom: 1934
Blocpdb> 35 atoms in block 63
Block first atom: 1967
Blocpdb> 24 atoms in block 64
Block first atom: 2002
Blocpdb> 35 atoms in block 65
Block first atom: 2026
Blocpdb> 27 atoms in block 66
Block first atom: 2061
Blocpdb> 33 atoms in block 67
Block first atom: 2088
Blocpdb> 29 atoms in block 68
Block first atom: 2121
Blocpdb> 30 atoms in block 69
Block first atom: 2150
Blocpdb> 39 atoms in block 70
Block first atom: 2180
Blocpdb> 34 atoms in block 71
Block first atom: 2219
Blocpdb> 41 atoms in block 72
Block first atom: 2253
Blocpdb> 38 atoms in block 73
Block first atom: 2294
Blocpdb> 31 atoms in block 74
Block first atom: 2332
Blocpdb> 35 atoms in block 75
Block first atom: 2363
Blocpdb> 29 atoms in block 76
Block first atom: 2398
Blocpdb> 35 atoms in block 77
Block first atom: 2427
Blocpdb> 34 atoms in block 78
Block first atom: 2462
Blocpdb> 22 atoms in block 79
Block first atom: 2496
Blocpdb> 30 atoms in block 80
Block first atom: 2518
Blocpdb> 27 atoms in block 81
Block first atom: 2548
Blocpdb> 36 atoms in block 82
Block first atom: 2575
Blocpdb> 36 atoms in block 83
Block first atom: 2611
Blocpdb> 35 atoms in block 84
Block first atom: 2647
Blocpdb> 21 atoms in block 85
Block first atom: 2682
Blocpdb> 41 atoms in block 86
Block first atom: 2703
Blocpdb> 33 atoms in block 87
Block first atom: 2744
Blocpdb> 27 atoms in block 88
Block first atom: 2777
Blocpdb> 29 atoms in block 89
Block first atom: 2804
Blocpdb> 30 atoms in block 90
Block first atom: 2833
Blocpdb> 38 atoms in block 91
Block first atom: 2863
Blocpdb> 22 atoms in block 92
Block first atom: 2901
Blocpdb> 30 atoms in block 93
Block first atom: 2923
Blocpdb> 33 atoms in block 94
Block first atom: 2953
Blocpdb> 41 atoms in block 95
Block first atom: 2986
Blocpdb> 43 atoms in block 96
Block first atom: 3027
Blocpdb> 35 atoms in block 97
Block first atom: 3070
Blocpdb> 24 atoms in block 98
Block first atom: 3105
Blocpdb> 33 atoms in block 99
Block first atom: 3129
Blocpdb> 35 atoms in block 100
Block first atom: 3162
Blocpdb> 32 atoms in block 101
Block first atom: 3197
Blocpdb> 27 atoms in block 102
Block first atom: 3229
Blocpdb> 26 atoms in block 103
Block first atom: 3256
Blocpdb> 30 atoms in block 104
Block first atom: 3282
Blocpdb> 48 atoms in block 105
Block first atom: 3312
Blocpdb> 34 atoms in block 106
Block first atom: 3360
Blocpdb> 34 atoms in block 107
Block first atom: 3394
Blocpdb> 38 atoms in block 108
Block first atom: 3428
Blocpdb> 23 atoms in block 109
Block first atom: 3466
Blocpdb> 35 atoms in block 110
Block first atom: 3489
Blocpdb> 48 atoms in block 111
Block first atom: 3524
Blocpdb> 21 atoms in block 112
Block first atom: 3572
Blocpdb> 40 atoms in block 113
Block first atom: 3593
Blocpdb> 36 atoms in block 114
Block first atom: 3633
Blocpdb> 25 atoms in block 115
Block first atom: 3669
Blocpdb> 38 atoms in block 116
Block first atom: 3694
Blocpdb> 45 atoms in block 117
Block first atom: 3732
Blocpdb> 34 atoms in block 118
Block first atom: 3777
Blocpdb> 31 atoms in block 119
Block first atom: 3811
Blocpdb> 33 atoms in block 120
Block first atom: 3842
Blocpdb> 18 atoms in block 121
Block first atom: 3875
Blocpdb> 38 atoms in block 122
Block first atom: 3893
Blocpdb> 14 atoms in block 123
Block first atom: 3931
Blocpdb> 39 atoms in block 124
Block first atom: 3945
Blocpdb> 26 atoms in block 125
Block first atom: 3984
Blocpdb> 26 atoms in block 126
Block first atom: 4010
Blocpdb> 33 atoms in block 127
Block first atom: 4036
Blocpdb> 29 atoms in block 128
Block first atom: 4069
Blocpdb> 33 atoms in block 129
Block first atom: 4098
Blocpdb> 38 atoms in block 130
Block first atom: 4131
Blocpdb> 35 atoms in block 131
Block first atom: 4169
Blocpdb> 27 atoms in block 132
Block first atom: 4204
Blocpdb> 25 atoms in block 133
Block first atom: 4231
Blocpdb> 26 atoms in block 134
Block first atom: 4256
Blocpdb> 34 atoms in block 135
Block first atom: 4282
Blocpdb> 39 atoms in block 136
Block first atom: 4316
Blocpdb> 33 atoms in block 137
Block first atom: 4355
Blocpdb> 28 atoms in block 138
Block first atom: 4388
Blocpdb> 33 atoms in block 139
Block first atom: 4416
Blocpdb> 43 atoms in block 140
Block first atom: 4449
Blocpdb> 21 atoms in block 141
Block first atom: 4492
Blocpdb> 40 atoms in block 142
Block first atom: 4513
Blocpdb> 39 atoms in block 143
Block first atom: 4553
Blocpdb> 28 atoms in block 144
Block first atom: 4592
Blocpdb> 21 atoms in block 145
Block first atom: 4620
Blocpdb> 21 atoms in block 146
Block first atom: 4641
Blocpdb> 35 atoms in block 147
Block first atom: 4662
Blocpdb> 25 atoms in block 148
Block first atom: 4697
Blocpdb> 33 atoms in block 149
Block first atom: 4722
Blocpdb> 29 atoms in block 150
Block first atom: 4755
Blocpdb> 19 atoms in block 151
Block first atom: 4784
Blocpdb> 39 atoms in block 152
Block first atom: 4803
Blocpdb> 17 atoms in block 153
Block first atom: 4842
Blocpdb> 19 atoms in block 154
Block first atom: 4859
Blocpdb> 36 atoms in block 155
Block first atom: 4878
Blocpdb> 23 atoms in block 156
Block first atom: 4914
Blocpdb> 35 atoms in block 157
Block first atom: 4937
Blocpdb> 29 atoms in block 158
Block first atom: 4972
Blocpdb> 31 atoms in block 159
Block first atom: 5001
Blocpdb> 41 atoms in block 160
Block first atom: 5032
Blocpdb> 43 atoms in block 161
Block first atom: 5073
Blocpdb> 12 atoms in block 162
Block first atom: 5115
Blocpdb> 162 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 12 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> 3670725 matrix lines read.
Prepmat> Matrix order = 15381
Prepmat> Matrix trace = 8101280.0000
Prepmat> Last element read: 15381 15381 340.3124
Prepmat> 13204 lines saved.
Prepmat> 11112 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: 5127
RTB> Total mass = 5127.0000
RTB> Number of atoms found in matrix: 5127
RTB> Number of blocks = 162
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 431056.8791
RTB> 72846 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 = 972
Diagstd> Nb of non-zero elements: 72846
Diagstd> Projected matrix trace = 431056.8791
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 972 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 431056.8791
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 5.3269197 6.1679600 6.9671609 13.0708717
13.8321020 14.4350216 17.1286416 19.2688691 21.2278798
23.8191517 24.9340541 26.6535780 28.7531893 30.6193437
33.4182425 35.6229849 37.6528682 39.4493261 41.6443570
42.9303147 43.8768579 45.6627652 47.6696465 48.4817168
48.6812827 50.0733391 50.6421665 52.7694153 53.0253022
56.1969800 56.7591727 57.7231982 58.9322306 59.8788562
60.9298189 62.8567625 63.1913811 63.6853094 65.0865872
66.8564204 69.1850705 70.1798226 72.0916474 72.9777247
73.4885384 74.9993000 76.7714012 77.3519534 77.5284851
78.7529027 79.9775211 81.3325158 82.3464076 84.5744013
85.9939659 86.5354023 87.1178707 88.3640119 88.9613687
91.8957800 93.2873046 94.5062934 94.7409598 96.1213657
98.0897422 99.9424601 100.9944112 101.3660845 103.2970299
104.1246416 106.1678309 106.8666582 108.4410440 109.9146853
110.3629097 111.8203097 114.4197356 114.6954711 116.2737212
117.2767933 118.9599588 120.7502901 122.5308888 123.0067590
123.9547264 124.8634736 125.8001643 126.0924540 126.8295145
129.7883129 130.6201374 131.4198783 133.2508656 134.9338566
135.5087293 137.0323936 139.0342184 140.2604430 141.3849039
142.3611319
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034317 0.0034328 0.0034336 0.0034338 0.0034340
0.0034345 250.6301748 269.6907516 286.6310267 392.5975243
403.8679336 412.5760366 449.4244975 476.6761177 500.3208365
529.9787119 542.2402219 560.6257469 582.2886056 600.8875684
627.7505229 648.1274768 666.3375881 682.0482122 700.7665461
711.5039514 719.3049352 733.7977638 749.7496055 756.1087704
757.6633615 768.4198172 772.7720724 788.8354534 790.7457321
814.0512902 818.1130282 825.0313912 833.6268999 840.2954814
847.6376209 860.9368256 863.2253866 866.5924713 876.0744816
887.9056925 903.2364897 909.7067419 922.0145091 927.6634374
930.9044045 940.4243927 951.4698124 955.0605865 956.1497795
963.6705020 971.1342023 979.3262227 985.4114607 998.6533110
1006.9995340 1010.1647014 1013.5587014 1020.7819760 1024.2265004
1040.9816270 1048.8335056 1055.6638389 1056.9736738 1064.6460489
1075.4917342 1085.6011581 1091.2994873 1093.3057091 1103.6698977
1108.0823572 1118.9012333 1122.5776587 1130.8164703 1138.4740623
1140.7930094 1148.3006898 1161.5709715 1162.9697410 1170.9438400
1175.9837523 1184.3925933 1193.2717846 1202.0376536 1204.3695537
1209.0014612 1213.4251342 1217.9680177 1219.3821375 1222.9408309
1237.1235489 1241.0816327 1244.8751869 1253.5172067 1261.4084820
1264.0926807 1271.1795636 1280.4308525 1286.0648943 1291.2097617
1295.6598363
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5127
Rtb_to_modes> Number of blocs = 162
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: 9.9870E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9932E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9991E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0000E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 5.327
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 6.168
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.967
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 13.07
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 13.83
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 14.44
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 17.13
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 19.27
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 21.23
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 23.82
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 24.93
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 26.65
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 28.75
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 30.62
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 33.42
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 35.62
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 37.65
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 39.45
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 41.64
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 42.93
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 43.88
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 45.66
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 47.67
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 48.48
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 48.68
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 50.07
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 50.64
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 52.77
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 53.03
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 56.20
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 56.76
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 57.72
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 58.93
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 59.88
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 60.93
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 62.86
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 63.19
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 63.69
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 65.09
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 66.86
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 69.19
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 70.18
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 72.09
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 72.98
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 73.49
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 75.00
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 76.77
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 77.35
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 77.53
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 78.75
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 79.98
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 81.33
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 82.35
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 84.57
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 85.99
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 86.54
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 87.12
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 88.36
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 88.96
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 91.90
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 93.29
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 94.51
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 94.74
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 96.12
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 98.09
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 99.94
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 101.0
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 101.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 104.1
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 106.2
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 106.9
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 108.4
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 109.9
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 110.4
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 111.8
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 114.4
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 114.7
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 116.3
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 117.3
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 119.0
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 120.8
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 122.5
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 123.0
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 124.0
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 124.9
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 125.8
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 126.1
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 126.8
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 129.8
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 130.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 131.4
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 133.3
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 134.9
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 135.5
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 137.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 139.0
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 140.3
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 141.4
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 142.4
Rtb_to_modes> 106 vectors, with 972 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 0.99999 1.00000 1.00001
1.00000 1.00002 0.99999 1.00001 1.00005
0.99999 0.99998 0.99998 1.00000 0.99999
0.99999 1.00000 0.99997 0.99997 0.99999
1.00001 1.00002 1.00001 0.99996 0.99999
1.00000 0.99999 0.99999 1.00000 1.00001
1.00000 1.00001 0.99999 1.00004 1.00000
0.99999 0.99999 1.00004 0.99999 0.99999
1.00003 1.00002 1.00002 1.00003 1.00000
1.00002 0.99997 1.00003 1.00004 1.00004
0.99999 1.00000 1.00000 1.00000 0.99998
0.99999 1.00000 1.00002 0.99999 1.00002
1.00001 0.99999 1.00004 0.99999 0.99998
0.99999 1.00001 1.00000 1.00001 0.99998
1.00001 1.00000 1.00002 1.00000 1.00000
0.99999 1.00001 1.00001 0.99999 1.00000
1.00000 1.00000 1.00000 0.99998 0.99998
1.00001 0.99999 0.99999 1.00000 0.99998
0.99997 1.00001 1.00001 0.99998 0.99998
1.00002 1.00002 0.99998 0.99999 1.00001
0.99996 1.00001 0.99998 1.00001 0.99999
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 92286 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 0.99999 1.00000 1.00001
1.00000 1.00002 0.99999 1.00001 1.00005
0.99999 0.99998 0.99998 1.00000 0.99999
0.99999 1.00000 0.99997 0.99997 0.99999
1.00001 1.00002 1.00001 0.99996 0.99999
1.00000 0.99999 0.99999 1.00000 1.00001
1.00000 1.00001 0.99999 1.00004 1.00000
0.99999 0.99999 1.00004 0.99999 0.99999
1.00003 1.00002 1.00002 1.00003 1.00000
1.00002 0.99997 1.00003 1.00004 1.00004
0.99999 1.00000 1.00000 1.00000 0.99998
0.99999 1.00000 1.00002 0.99999 1.00002
1.00001 0.99999 1.00004 0.99999 0.99998
0.99999 1.00001 1.00000 1.00001 0.99998
1.00001 1.00000 1.00002 1.00000 1.00000
0.99999 1.00001 1.00001 0.99999 1.00000
1.00000 1.00000 1.00000 0.99998 0.99998
1.00001 0.99999 0.99999 1.00000 0.99998
0.99997 1.00001 1.00001 0.99998 0.99998
1.00002 1.00002 0.99998 0.99999 1.00001
0.99996 1.00001 0.99998 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> 2404031516062184733.eigenfacs
Openam> file on opening on unit 10:
2404031516062184733.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404031516062184733.atom
Openam> file on opening on unit 11:
2404031516062184733.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 = 323
First residue number = 1
Last residue number = 323
Number of atoms found = 5127
Mean number per residue = 15.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9870E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9932E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9991E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0000E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 5.327
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 6.168
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.967
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 13.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 13.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 14.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 19.27
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 21.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 23.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 24.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 26.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 28.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 30.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 33.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 35.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 37.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 39.45
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 41.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 42.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 43.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 45.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 47.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 48.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 48.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 50.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 50.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 52.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 53.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 56.20
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 56.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 57.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 58.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 59.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 60.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 62.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 63.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 63.69
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 65.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 66.86
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 69.19
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 70.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 72.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 72.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 73.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 75.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 76.77
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 77.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 77.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 78.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 79.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 81.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 82.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 84.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 85.99
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 86.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 87.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 88.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 88.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 91.90
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 93.29
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 94.51
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 94.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 96.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 98.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 99.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 101.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 101.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 104.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 106.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 106.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 108.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 109.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 110.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 111.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 114.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 114.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 116.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 117.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 119.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 120.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 122.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 123.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 124.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 124.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 125.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 126.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 126.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 129.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 130.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 131.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 133.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 134.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 135.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 137.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 139.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 140.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 141.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 142.4
Bfactors> 106 vectors, 15381 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 : 5.327000
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-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.005 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.005
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2404031516062184733 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.7.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 2404031516062184733.7.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 2404031516062184733.7.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 2404031516062184733 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.8.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 2404031516062184733.8.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 2404031516062184733.8.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 2404031516062184733 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.9.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 2404031516062184733.9.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 2404031516062184733.9.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 2404031516062184733 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.10.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 2404031516062184733.10.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 2404031516062184733.10.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 2404031516062184733 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.11.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 2404031516062184733.11.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 2404031516062184733.11.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
getting mode 12
running: ../../bin/get_modes.sh 2404031516062184733 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.12.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 2404031516062184733.12.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 2404031516062184733.12.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 13
running: ../../bin/get_modes.sh 2404031516062184733 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.13.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 2404031516062184733.13.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 2404031516062184733.13.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 14
running: ../../bin/get_modes.sh 2404031516062184733 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.14.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 2404031516062184733.14.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 2404031516062184733.14.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 15
running: ../../bin/get_modes.sh 2404031516062184733 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.15.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 2404031516062184733.15.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 2404031516062184733.15.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 16
running: ../../bin/get_modes.sh 2404031516062184733 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=-20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=0
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=20
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=40
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=60
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=80
2404031516062184733.eigenfacs
2404031516062184733.atom
calculating perturbed structure for DQ=100
2404031516062184733.eigenfacs
2404031516062184733.atom
making animated gifs
11 models are in 2404031516062184733.16.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 2404031516062184733.16.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 2404031516062184733.16.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
2404031516062184733.10.pdb
2404031516062184733.11.pdb
2404031516062184733.12.pdb
2404031516062184733.13.pdb
2404031516062184733.14.pdb
2404031516062184733.15.pdb
2404031516062184733.16.pdb
2404031516062184733.7.pdb
2404031516062184733.8.pdb
2404031516062184733.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m22.290s
user 0m22.185s
sys 0m0.104s
../../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: 2404031516062184733.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
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pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
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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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