***    ***
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 = 2406101858502122271.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 2406101858502122271.atom to be opened.
Openam> File opened: 2406101858502122271.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 = 2180
First residue number = 1
Last residue number = 545
Number of atoms found = 17744
Mean number per residue = 8.1
Pdbmat> Coordinate statistics:
= -2.564277 +/- 30.345614 From: -95.390000 To: 81.444000
= 0.004722 +/- 25.797717 From: -76.449000 To: 51.428000
= 4.283538 +/- 26.795186 From: -72.830000 To: 57.008000
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 -0.8495 % Filled.
Pdbmat> 6206529 non-zero elements.
Pdbmat> 677885 atom-atom interactions.
Pdbmat> Number per atom= 76.41 +/- 21.25
Maximum number = 128
Minimum number = 9
Pdbmat> Matrix trace = 1.355770E+07
Pdbmat> Larger element = 501.656
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
2180 non-zero elements, NRBL set to 11
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 = 2406101858502122271.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 11
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 2406101858502122271.atom to be opened.
Openam> file on opening on unit 11:
2406101858502122271.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 17744 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 11 residue(s) per block.
Blocpdb> 2180 residues.
Blocpdb> 91 atoms in block 1
Block first atom: 1
Blocpdb> 91 atoms in block 2
Block first atom: 92
Blocpdb> 96 atoms in block 3
Block first atom: 183
Blocpdb> 91 atoms in block 4
Block first atom: 279
Blocpdb> 89 atoms in block 5
Block first atom: 370
Blocpdb> 80 atoms in block 6
Block first atom: 459
Blocpdb> 88 atoms in block 7
Block first atom: 539
Blocpdb> 90 atoms in block 8
Block first atom: 627
Blocpdb> 85 atoms in block 9
Block first atom: 717
Blocpdb> 81 atoms in block 10
Block first atom: 802
Blocpdb> 89 atoms in block 11
Block first atom: 883
Blocpdb> 96 atoms in block 12
Block first atom: 972
Blocpdb> 99 atoms in block 13
Block first atom: 1068
Blocpdb> 103 atoms in block 14
Block first atom: 1167
Blocpdb> 79 atoms in block 15
Block first atom: 1270
Blocpdb> 89 atoms in block 16
Block first atom: 1349
Blocpdb> 88 atoms in block 17
Block first atom: 1438
Blocpdb> 86 atoms in block 18
Block first atom: 1526
Blocpdb> 87 atoms in block 19
Block first atom: 1612
Blocpdb> 87 atoms in block 20
Block first atom: 1699
Blocpdb> 80 atoms in block 21
Block first atom: 1786
Blocpdb> 100 atoms in block 22
Block first atom: 1866
Blocpdb> 88 atoms in block 23
Block first atom: 1966
Blocpdb> 94 atoms in block 24
Block first atom: 2054
Blocpdb> 95 atoms in block 25
Block first atom: 2148
Blocpdb> 84 atoms in block 26
Block first atom: 2243
Blocpdb> 91 atoms in block 27
Block first atom: 2327
Blocpdb> 88 atoms in block 28
Block first atom: 2418
Blocpdb> 80 atoms in block 29
Block first atom: 2506
Blocpdb> 82 atoms in block 30
Block first atom: 2586
Blocpdb> 92 atoms in block 31
Block first atom: 2668
Blocpdb> 88 atoms in block 32
Block first atom: 2760
Blocpdb> 96 atoms in block 33
Block first atom: 2848
Blocpdb> 89 atoms in block 34
Block first atom: 2944
Blocpdb> 81 atoms in block 35
Block first atom: 3033
Blocpdb> 91 atoms in block 36
Block first atom: 3114
Blocpdb> 89 atoms in block 37
Block first atom: 3205
Blocpdb> 92 atoms in block 38
Block first atom: 3294
Blocpdb> 98 atoms in block 39
Block first atom: 3386
Blocpdb> 91 atoms in block 40
Block first atom: 3484
Blocpdb> 92 atoms in block 41
Block first atom: 3575
Blocpdb> 93 atoms in block 42
Block first atom: 3667
Blocpdb> 84 atoms in block 43
Block first atom: 3760
Blocpdb> 88 atoms in block 44
Block first atom: 3844
Blocpdb> 91 atoms in block 45
Block first atom: 3932
Blocpdb> 94 atoms in block 46
Block first atom: 4023
Blocpdb> 91 atoms in block 47
Block first atom: 4117
Blocpdb> 82 atoms in block 48
Block first atom: 4208
Blocpdb> 99 atoms in block 49
Block first atom: 4290
Blocpdb> 48 atoms in block 50
Block first atom: 4389
Blocpdb> 91 atoms in block 51
Block first atom: 4437
Blocpdb> 91 atoms in block 52
Block first atom: 4528
Blocpdb> 96 atoms in block 53
Block first atom: 4619
Blocpdb> 91 atoms in block 54
Block first atom: 4715
Blocpdb> 89 atoms in block 55
Block first atom: 4806
Blocpdb> 80 atoms in block 56
Block first atom: 4895
Blocpdb> 88 atoms in block 57
Block first atom: 4975
Blocpdb> 90 atoms in block 58
Block first atom: 5063
Blocpdb> 85 atoms in block 59
Block first atom: 5153
Blocpdb> 81 atoms in block 60
Block first atom: 5238
Blocpdb> 89 atoms in block 61
Block first atom: 5319
Blocpdb> 96 atoms in block 62
Block first atom: 5408
Blocpdb> 99 atoms in block 63
Block first atom: 5504
Blocpdb> 103 atoms in block 64
Block first atom: 5603
Blocpdb> 79 atoms in block 65
Block first atom: 5706
Blocpdb> 89 atoms in block 66
Block first atom: 5785
Blocpdb> 88 atoms in block 67
Block first atom: 5874
Blocpdb> 86 atoms in block 68
Block first atom: 5962
Blocpdb> 87 atoms in block 69
Block first atom: 6048
Blocpdb> 87 atoms in block 70
Block first atom: 6135
Blocpdb> 80 atoms in block 71
Block first atom: 6222
Blocpdb> 100 atoms in block 72
Block first atom: 6302
Blocpdb> 88 atoms in block 73
Block first atom: 6402
Blocpdb> 94 atoms in block 74
Block first atom: 6490
Blocpdb> 95 atoms in block 75
Block first atom: 6584
Blocpdb> 84 atoms in block 76
Block first atom: 6679
Blocpdb> 91 atoms in block 77
Block first atom: 6763
Blocpdb> 88 atoms in block 78
Block first atom: 6854
Blocpdb> 80 atoms in block 79
Block first atom: 6942
Blocpdb> 82 atoms in block 80
Block first atom: 7022
Blocpdb> 92 atoms in block 81
Block first atom: 7104
Blocpdb> 88 atoms in block 82
Block first atom: 7196
Blocpdb> 96 atoms in block 83
Block first atom: 7284
Blocpdb> 89 atoms in block 84
Block first atom: 7380
Blocpdb> 81 atoms in block 85
Block first atom: 7469
Blocpdb> 91 atoms in block 86
Block first atom: 7550
Blocpdb> 89 atoms in block 87
Block first atom: 7641
Blocpdb> 92 atoms in block 88
Block first atom: 7730
Blocpdb> 98 atoms in block 89
Block first atom: 7822
Blocpdb> 91 atoms in block 90
Block first atom: 7920
Blocpdb> 92 atoms in block 91
Block first atom: 8011
Blocpdb> 93 atoms in block 92
Block first atom: 8103
Blocpdb> 84 atoms in block 93
Block first atom: 8196
Blocpdb> 88 atoms in block 94
Block first atom: 8280
Blocpdb> 91 atoms in block 95
Block first atom: 8368
Blocpdb> 94 atoms in block 96
Block first atom: 8459
Blocpdb> 91 atoms in block 97
Block first atom: 8553
Blocpdb> 82 atoms in block 98
Block first atom: 8644
Blocpdb> 99 atoms in block 99
Block first atom: 8726
Blocpdb> 48 atoms in block 100
Block first atom: 8825
Blocpdb> 91 atoms in block 101
Block first atom: 8873
Blocpdb> 91 atoms in block 102
Block first atom: 8964
Blocpdb> 96 atoms in block 103
Block first atom: 9055
Blocpdb> 91 atoms in block 104
Block first atom: 9151
Blocpdb> 89 atoms in block 105
Block first atom: 9242
Blocpdb> 80 atoms in block 106
Block first atom: 9331
Blocpdb> 88 atoms in block 107
Block first atom: 9411
Blocpdb> 90 atoms in block 108
Block first atom: 9499
Blocpdb> 85 atoms in block 109
Block first atom: 9589
Blocpdb> 81 atoms in block 110
Block first atom: 9674
Blocpdb> 89 atoms in block 111
Block first atom: 9755
Blocpdb> 96 atoms in block 112
Block first atom: 9844
Blocpdb> 99 atoms in block 113
Block first atom: 9940
Blocpdb> 103 atoms in block 114
Block first atom: 10039
Blocpdb> 79 atoms in block 115
Block first atom: 10142
Blocpdb> 89 atoms in block 116
Block first atom: 10221
Blocpdb> 88 atoms in block 117
Block first atom: 10310
Blocpdb> 86 atoms in block 118
Block first atom: 10398
Blocpdb> 87 atoms in block 119
Block first atom: 10484
Blocpdb> 87 atoms in block 120
Block first atom: 10571
Blocpdb> 80 atoms in block 121
Block first atom: 10658
Blocpdb> 100 atoms in block 122
Block first atom: 10738
Blocpdb> 88 atoms in block 123
Block first atom: 10838
Blocpdb> 94 atoms in block 124
Block first atom: 10926
Blocpdb> 95 atoms in block 125
Block first atom: 11020
Blocpdb> 84 atoms in block 126
Block first atom: 11115
Blocpdb> 91 atoms in block 127
Block first atom: 11199
Blocpdb> 88 atoms in block 128
Block first atom: 11290
Blocpdb> 80 atoms in block 129
Block first atom: 11378
Blocpdb> 82 atoms in block 130
Block first atom: 11458
Blocpdb> 92 atoms in block 131
Block first atom: 11540
Blocpdb> 88 atoms in block 132
Block first atom: 11632
Blocpdb> 96 atoms in block 133
Block first atom: 11720
Blocpdb> 89 atoms in block 134
Block first atom: 11816
Blocpdb> 81 atoms in block 135
Block first atom: 11905
Blocpdb> 91 atoms in block 136
Block first atom: 11986
Blocpdb> 89 atoms in block 137
Block first atom: 12077
Blocpdb> 92 atoms in block 138
Block first atom: 12166
Blocpdb> 98 atoms in block 139
Block first atom: 12258
Blocpdb> 91 atoms in block 140
Block first atom: 12356
Blocpdb> 92 atoms in block 141
Block first atom: 12447
Blocpdb> 93 atoms in block 142
Block first atom: 12539
Blocpdb> 84 atoms in block 143
Block first atom: 12632
Blocpdb> 88 atoms in block 144
Block first atom: 12716
Blocpdb> 91 atoms in block 145
Block first atom: 12804
Blocpdb> 94 atoms in block 146
Block first atom: 12895
Blocpdb> 91 atoms in block 147
Block first atom: 12989
Blocpdb> 82 atoms in block 148
Block first atom: 13080
Blocpdb> 99 atoms in block 149
Block first atom: 13162
Blocpdb> 48 atoms in block 150
Block first atom: 13261
Blocpdb> 91 atoms in block 151
Block first atom: 13309
Blocpdb> 91 atoms in block 152
Block first atom: 13400
Blocpdb> 96 atoms in block 153
Block first atom: 13491
Blocpdb> 91 atoms in block 154
Block first atom: 13587
Blocpdb> 89 atoms in block 155
Block first atom: 13678
Blocpdb> 80 atoms in block 156
Block first atom: 13767
Blocpdb> 88 atoms in block 157
Block first atom: 13847
Blocpdb> 90 atoms in block 158
Block first atom: 13935
Blocpdb> 85 atoms in block 159
Block first atom: 14025
Blocpdb> 81 atoms in block 160
Block first atom: 14110
Blocpdb> 89 atoms in block 161
Block first atom: 14191
Blocpdb> 96 atoms in block 162
Block first atom: 14280
Blocpdb> 99 atoms in block 163
Block first atom: 14376
Blocpdb> 103 atoms in block 164
Block first atom: 14475
Blocpdb> 79 atoms in block 165
Block first atom: 14578
Blocpdb> 89 atoms in block 166
Block first atom: 14657
Blocpdb> 88 atoms in block 167
Block first atom: 14746
Blocpdb> 86 atoms in block 168
Block first atom: 14834
Blocpdb> 87 atoms in block 169
Block first atom: 14920
Blocpdb> 87 atoms in block 170
Block first atom: 15007
Blocpdb> 80 atoms in block 171
Block first atom: 15094
Blocpdb> 100 atoms in block 172
Block first atom: 15174
Blocpdb> 88 atoms in block 173
Block first atom: 15274
Blocpdb> 94 atoms in block 174
Block first atom: 15362
Blocpdb> 95 atoms in block 175
Block first atom: 15456
Blocpdb> 84 atoms in block 176
Block first atom: 15551
Blocpdb> 91 atoms in block 177
Block first atom: 15635
Blocpdb> 88 atoms in block 178
Block first atom: 15726
Blocpdb> 80 atoms in block 179
Block first atom: 15814
Blocpdb> 82 atoms in block 180
Block first atom: 15894
Blocpdb> 92 atoms in block 181
Block first atom: 15976
Blocpdb> 88 atoms in block 182
Block first atom: 16068
Blocpdb> 96 atoms in block 183
Block first atom: 16156
Blocpdb> 89 atoms in block 184
Block first atom: 16252
Blocpdb> 81 atoms in block 185
Block first atom: 16341
Blocpdb> 91 atoms in block 186
Block first atom: 16422
Blocpdb> 89 atoms in block 187
Block first atom: 16513
Blocpdb> 92 atoms in block 188
Block first atom: 16602
Blocpdb> 98 atoms in block 189
Block first atom: 16694
Blocpdb> 91 atoms in block 190
Block first atom: 16792
Blocpdb> 92 atoms in block 191
Block first atom: 16883
Blocpdb> 93 atoms in block 192
Block first atom: 16975
Blocpdb> 84 atoms in block 193
Block first atom: 17068
Blocpdb> 88 atoms in block 194
Block first atom: 17152
Blocpdb> 91 atoms in block 195
Block first atom: 17240
Blocpdb> 94 atoms in block 196
Block first atom: 17331
Blocpdb> 91 atoms in block 197
Block first atom: 17425
Blocpdb> 82 atoms in block 198
Block first atom: 17516
Blocpdb> 99 atoms in block 199
Block first atom: 17598
Blocpdb> 48 atoms in block 200
Block first atom: 17696
Blocpdb> 200 blocks.
Blocpdb> At most, 103 atoms in each of them.
Blocpdb> At least, 48 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> 6206729 matrix lines read.
Prepmat> Matrix order = 53232
Prepmat> Matrix trace = 13557700.0001
Prepmat> Last element read: 53232 53232 104.3751
Prepmat> 20101 lines saved.
Prepmat> 18788 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: 17744
RTB> Total mass = 17744.0000
RTB> Number of atoms found in matrix: 17744
RTB> Number of blocks = 200
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 154060.1232
RTB> 44232 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 = 1200
Diagstd> Nb of non-zero elements: 44232
Diagstd> Projected matrix trace = 154060.1232
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1200 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 154060.1232
Diagstd> Best zero-eigenvalue found : 0.000000
Diagstd> 6 zero-eigenvalues, that is, below or equal to: 0.0000000
Diagstd> Selected eigenvalues:
0.0000000 0.0000000 0.0000000 0.0000000 0.0000000
0.0000000 0.0576551 0.0702495 0.1087501 0.1296352
0.1959344 0.2033919 0.2434123 0.2615850 0.3524798
0.4468416 0.5157070 0.6510644 0.6679560 0.7042479
0.7676575 0.7931918 0.8642095 0.9049907 0.9402701
1.1034060 1.1334337 1.2255040 1.2629369 1.3053690
1.5324182 1.6340123 1.7957950 1.8884069 1.9345629
2.0484592 2.2167442 2.2722852 2.3747454 2.6161049
2.6729644 2.7855035 2.9746072 3.0877354 3.1415588
3.2864569 3.3608417 3.4159579 3.7001730 3.7862990
3.9110653 3.9720115 4.0161503 4.0538757 4.0991571
4.1930470 4.4800339 4.5097288 4.7183977 4.9042175
5.0583005 5.1548689 5.2215640 5.4592150 5.5221604
5.7213598 5.7657707 5.9967330 6.0988981 6.3103120
6.4587251 6.7387001 6.8228583 6.8981481 7.1050941
7.9430038 8.0657592 8.4957674 8.5800445 8.6220364
8.8324849 8.9066715 9.3016676 9.4519404 9.5494868
9.7279548 9.9073903 10.1309876 10.2367066 10.6477055
10.8253912 10.8691113 11.2957198 11.3385375 11.7223690
12.0187978 12.3537777 12.5484130 12.6440778 12.7856491
13.0617953 13.2119956 13.2245959 13.6342501 13.7380109
13.8076825
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034332 0.0034333 0.0034335 0.0034339 0.0034340
0.0034346 26.0743949 28.7817262 35.8104719 39.0981969
48.0673950 48.9736104 53.5755416 55.5394638 64.4707049
72.5892154 77.9824335 87.6208058 88.7501761 91.1293084
95.1434813 96.7128962 100.9496469 103.3040501 105.2983578
114.0677701 115.6094535 120.2133374 122.0354768 124.0686113
134.4262042 138.8106995 145.5203257 149.2255096 151.0381661
155.4207273 161.6787963 163.6917147 167.3415582 175.6397674
177.5382235 181.2371135 187.2880602 190.8162320 192.4721422
196.8608035 199.0761848 200.7019245 208.8845386 211.3015737
214.7547681 216.4215625 217.6207293 218.6404405 219.8581459
222.3617805 229.8454594 230.6059427 235.8807770 240.4806521
244.2292036 246.5494821 248.1393161 253.7233167 255.1818547
259.7436327 260.7497881 265.9210013 268.1766539 272.7851316
275.9743246 281.8923849 283.6471712 285.2078910 289.4544287
306.0466749 308.4025118 316.5166694 318.0827018 318.8601206
322.7280627 324.0805734 331.1888352 333.8533722 335.5716760
338.6928679 341.8022496 345.6377516 347.4364735 354.3425421
357.2868891 358.0076422 364.9658549 365.6569228 371.7945112
376.4660297 381.6762810 384.6712084 386.1347251 388.2904152
392.4611898 394.7112373 394.8994107 400.9691020 402.4919595
403.5112769
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 17744
Rtb_to_modes> Number of blocs = 200
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: 9.9955E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9962E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9976E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9995E-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: 5.7655E-02
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 7.0249E-02
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 0.1088
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 0.1296
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 0.1959
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 0.2034
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 0.2434
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 0.2616
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 0.3525
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 0.4468
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 0.5157
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 0.6511
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 0.6680
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 0.7042
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 0.7677
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 0.7932
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 0.8642
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 0.9050
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 0.9403
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 1.103
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 1.133
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 1.226
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 1.263
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 1.305
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 1.532
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 1.634
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 1.796
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 1.888
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 1.935
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 2.048
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 2.217
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 2.272
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 2.375
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 2.616
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 2.673
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 2.786
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 2.975
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 3.088
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 3.142
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 3.286
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 3.361
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 3.416
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 3.700
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 3.786
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 3.911
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 3.972
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 4.016
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 4.054
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 4.099
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 4.193
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 4.480
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 4.510
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 4.718
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 4.904
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 5.058
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 5.155
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 5.222
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 5.459
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 5.522
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 5.721
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 5.766
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 5.997
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 6.099
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 6.310
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 6.459
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 6.739
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 6.823
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 6.898
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 7.105
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 7.943
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 8.066
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 8.496
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 8.580
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 8.622
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 8.832
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 8.907
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 9.302
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 9.452
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 9.549
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 9.728
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 9.907
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 10.13
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 10.24
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 10.65
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 10.83
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 10.87
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 11.30
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 11.34
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 11.72
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 12.02
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 12.35
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 12.55
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 12.64
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 12.79
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 13.06
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 13.21
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 13.22
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 13.63
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 13.74
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 13.81
Rtb_to_modes> 106 vectors, with 1200 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 0.99998 1.00003 0.99999 1.00000
0.99999 1.00001 0.99999 0.99998 1.00000
1.00002 1.00001 1.00001 1.00001 1.00000
1.00001 1.00001 1.00001 0.99999 1.00000
0.99998 1.00001 1.00001 0.99998 1.00001
0.99997 1.00000 0.99998 1.00003 1.00001
0.99999 0.99998 1.00001 1.00000 0.99997
0.99999 0.99999 1.00002 1.00000 0.99997
0.99999 1.00002 1.00000 1.00001 1.00000
0.99999 0.99999 1.00002 1.00001 1.00000
0.99998 0.99999 0.99999 0.99999 0.99998
1.00001 1.00000 1.00000 1.00002 1.00000
1.00000 1.00000 0.99999 1.00000 1.00000
0.99999 0.99998 0.99998 1.00001 1.00000
1.00001 1.00002 0.99997 1.00001 1.00001
1.00001 0.99999 1.00000 0.99999 0.99998
1.00003 1.00000 1.00002 1.00000 0.99999
1.00001 1.00004 1.00001 1.00001 0.99997
1.00002 0.99998 0.99998 0.99999 1.00000
1.00000 1.00001 1.00001 1.00002 1.00000
1.00000
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 319392 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
0.99999 1.00000 1.00000 1.00000 1.00000
1.00000 0.99998 1.00003 0.99999 1.00000
0.99999 1.00001 0.99999 0.99998 1.00000
1.00002 1.00001 1.00001 1.00001 1.00000
1.00001 1.00001 1.00001 0.99999 1.00000
0.99998 1.00001 1.00001 0.99998 1.00001
0.99997 1.00000 0.99998 1.00003 1.00001
0.99999 0.99998 1.00001 1.00000 0.99997
0.99999 0.99999 1.00002 1.00000 0.99997
0.99999 1.00002 1.00000 1.00001 1.00000
0.99999 0.99999 1.00002 1.00001 1.00000
0.99998 0.99999 0.99999 0.99999 0.99998
1.00001 1.00000 1.00000 1.00002 1.00000
1.00000 1.00000 0.99999 1.00000 1.00000
0.99999 0.99998 0.99998 1.00001 1.00000
1.00001 1.00002 0.99997 1.00001 1.00001
1.00001 0.99999 1.00000 0.99999 0.99998
1.00003 1.00000 1.00002 1.00000 0.99999
1.00001 1.00004 1.00001 1.00001 0.99997
1.00002 0.99998 0.99998 0.99999 1.00000
1.00000 1.00001 1.00001 1.00002 1.00000
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> 2406101858502122271.eigenfacs
Openam> file on opening on unit 10:
2406101858502122271.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2406101858502122271.atom
Openam> file on opening on unit 11:
2406101858502122271.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 = 2180
First residue number = 1
Last residue number = 545
Number of atoms found = 17744
Mean number per residue = 8.1
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9955E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9962E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9976E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-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: 5.7655E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 7.0249E-02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1296
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 0.1959
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2034
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2434
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 0.2616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 0.3525
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 0.4468
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 0.5157
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6511
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 0.6680
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7042
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7677
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 0.7932
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 0.8642
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9050
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 0.9403
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 1.103
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 1.133
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 1.226
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 1.263
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 1.305
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 1.532
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 1.634
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 1.796
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 1.888
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 1.935
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 2.048
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 2.217
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 2.272
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 2.375
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 2.616
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 2.673
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 2.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 2.975
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 3.088
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 3.142
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 3.286
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 3.361
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 3.416
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 3.700
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 3.786
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 3.911
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 3.972
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 4.016
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 4.054
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 4.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 4.193
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 4.480
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 4.510
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 4.718
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 4.904
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 5.058
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 5.155
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 5.222
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 5.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 5.522
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 5.721
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 5.766
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 5.997
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 6.099
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 6.310
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 6.459
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 6.739
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 6.823
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 6.898
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 7.105
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 7.943
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 8.066
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 8.496
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 8.580
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 8.622
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 8.832
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 8.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 9.302
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 9.452
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 9.549
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 9.728
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 9.907
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 10.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 10.24
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 10.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 10.83
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 10.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 11.30
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 11.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 11.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 12.02
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 12.35
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 12.55
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 12.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 12.79
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 13.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 13.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 13.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 13.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 13.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 13.81
Bfactors> 106 vectors, 53232 coordinates in file.
Openam> file on opening on unit 12:
bfactors.pred
Bfactors> Best zero-eigenvalue found : 0.000000
Bfactors> 6 eigenvalues less than : 0.000000
Bfactors> Lowest non-zero eigenvalue : 0.057655
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= -0.161 for 2180 C-alpha atoms.
Bfactors> = 0.090 +/- 0.12
Bfactors> = 80.451 +/- 11.72
Bfactors> Shiftng-fct= 80.361
Bfactors> Scaling-fct= 96.380
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2406101858502122271.eigenfacs
Openam> file on opening on unit 10:
2406101858502122271.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4330E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4332E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4334E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4337E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4338E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4343E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 26.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 28.78
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 35.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 39.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 48.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 48.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 53.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 55.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 64.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 72.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 77.98
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 87.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 88.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 91.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 95.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 96.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 100.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 105.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 114.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 115.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 120.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 122.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 124.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 134.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 138.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 145.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 149.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 151.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 155.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 161.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 163.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 167.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 175.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 177.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 181.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 187.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 190.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 192.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 196.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 199.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 200.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 208.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 211.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 214.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 216.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 217.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 218.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 219.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 222.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 229.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 230.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 235.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 240.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 244.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 246.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 248.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 253.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 255.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 259.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 260.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 265.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 268.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 272.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 276.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 281.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 283.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 285.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 289.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 306.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 308.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 316.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 318.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 318.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 322.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 324.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 331.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 333.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 335.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 338.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 341.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 345.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 347.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 354.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 357.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 358.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 365.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 365.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 371.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 376.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 381.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 384.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 386.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 388.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 392.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 394.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 394.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 400.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 402.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 403.5
Chkmod> 106 vectors, 53232 coordinates in file.
Chkmod> That is: 17744 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
Chkmod> Normal end.
0.0034 0.6616
0.0034 0.7923
0.0034 0.7961
0.0034 0.6672
0.0034 0.7086
0.0034 0.8899
26.0732 0.3293
28.7804 0.3260
35.8172 0.3917
39.0912 0.3424
48.0611 0.4395
48.9725 0.3368
53.5719 0.5500
55.5387 0.4660
64.4698 0.5341
72.5827 0.5166
77.9786 0.6007
87.6194 0.4088
88.7493 0.3848
91.1223 0.3369
95.1420 0.3182
96.7092 0.3761
100.9448 0.2231
103.3001 0.2032
105.2955 0.3716
114.0419 0.4784
115.5824 0.4191
120.2325 0.7279
122.0333 0.5261
124.0458 0.5414
134.4021 0.3426
138.8042 0.5446
145.5224 0.4281
149.2030 0.5269
151.0487 0.5666
155.3966 0.4078
161.6812 0.4029
163.6744 0.5587
167.3433 0.6310
175.6287 0.5312
177.5318 0.6589
181.2455 0.4981
187.2924 0.5016
190.8162 0.4357
192.4774 0.2053
196.8387 0.3795
199.0723 0.5051
200.6945 0.5286
208.8707 0.4323
211.2842 0.2567
214.7438 0.5236
216.4120 0.5473
217.6073 0.4464
218.6344 0.4355
219.8445 0.3861
222.3510 0.3100
229.8347 0.4453
230.6030 0.6274
235.8607 0.4883
240.4650 0.5679
244.2115 0.5981
246.5420 0.2170
248.1390 0.1753
253.7074 0.4453
255.1672 0.4648
259.7243 0.3658
260.7438 0.5057
265.9155 0.4567
268.1674 0.5350
272.7667 0.4175
275.9684 0.3382
281.8866 0.2556
283.6379 0.3102
285.1926 0.4021
289.4401 0.3117
306.0335 0.6019
308.3939 0.5241
316.5074 0.3951
318.0682 0.3860
318.8458 0.5233
322.7054 0.3944
324.0726 0.4929
331.1805 0.5452
333.8401 0.4416
335.5487 0.3891
338.6791 0.4022
341.7808 0.4947
345.6061 0.4916
347.4774 0.4309
354.3655 0.3395
357.3476 0.4845
358.0069 0.4344
365.0193 0.1363
365.6648 0.2319
371.7410 0.2408
376.4687 0.3754
381.6015 0.2658
384.6790 0.3327
386.0559 0.3087
388.3398 0.2574
392.4174 0.3967
394.6645 0.2727
394.8138 0.4316
400.8894 0.4957
402.5038 0.2973
403.5278 0.1993
getting mode 7
running: ../../bin/get_modes.sh 2406101858502122271 7 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.7.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2406101858502122271 8 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.8.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2406101858502122271 9 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.9.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2406101858502122271 10 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.10.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2406101858502122271 11 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.11.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2406101858502122271 12 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.12.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2406101858502122271 13 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.13.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2406101858502122271 14 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.14.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2406101858502122271 15 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.15.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2406101858502122271 16 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.16.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2406101858502122271 17 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.17.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2406101858502122271 18 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.18.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2406101858502122271 19 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.19.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2406101858502122271 20 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.20.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2406101858502122271 21 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.21.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2406101858502122271 22 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.22.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2406101858502122271 23 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.23.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2406101858502122271 24 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.24.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2406101858502122271 25 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.25.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2406101858502122271 26 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.26.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2406101858502122271 27 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.27.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2406101858502122271 28 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.28.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2406101858502122271 29 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.29.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2406101858502122271 30 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.30.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2406101858502122271 31 -200 200 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-200
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=-20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=0
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=20
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=40
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=60
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=80
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=100
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=120
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=140
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=160
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=180
2406101858502122271.eigenfacs
2406101858502122271.atom
calculating perturbed structure for DQ=200
2406101858502122271.eigenfacs
2406101858502122271.atom
making animated gifs
21 models are in 2406101858502122271.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
21 models are in 2406101858502122271.31.pdb, 3 models will be skipped
MODEL 1 will be plotted
MODEL 5 will be plotted
MODEL 9 will be plotted
MODEL 13 will be plotted
MODEL 17 will be plotted
MODEL 21 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2406101858502122271.10.pdb
2406101858502122271.11.pdb
2406101858502122271.12.pdb
2406101858502122271.13.pdb
2406101858502122271.14.pdb
2406101858502122271.15.pdb
2406101858502122271.16.pdb
2406101858502122271.17.pdb
2406101858502122271.18.pdb
2406101858502122271.19.pdb
2406101858502122271.20.pdb
2406101858502122271.21.pdb
2406101858502122271.22.pdb
2406101858502122271.23.pdb
2406101858502122271.24.pdb
2406101858502122271.25.pdb
2406101858502122271.26.pdb
2406101858502122271.27.pdb
2406101858502122271.28.pdb
2406101858502122271.29.pdb
2406101858502122271.30.pdb
2406101858502122271.31.pdb
2406101858502122271.7.pdb
2406101858502122271.8.pdb
2406101858502122271.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 2m7.426s
user 2m7.139s
sys 0m0.272s
rm: cannot remove '2406101858502122271.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).
Last modification: April 25th, 2023.
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