*** ***
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 = 2405021543434120385.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 2405021543434120385.atom to be opened.
Openam> File opened: 2405021543434120385.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 = 216
First residue number = 937
Last residue number = 1152
Number of atoms found = 3433
Mean number per residue = 15.9
Pdbmat> Coordinate statistics:
= 1.861197 +/- 9.545443 From: -21.025000 To: 25.813000
= 31.074667 +/- 9.141720 From: 8.475000 To: 52.050000
= 18.491498 +/- 9.102977 From: -2.588000 To: 39.307000
Pdbmat> Masses are all set to one.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> residue:'HSD ' is not a well known amino-acid.
%Pdbmat-W> 6 residue(s) not known.
Openam> File opened: pdbmat.xyzm
Pdbmat> Coordinates and masses considered are saved.
Openam> File opened: pdbmat.sdijb
Pdbmat> Matrix statistics:
Pdbmat> The matrix is 4.9149 % Filled.
Pdbmat> 2606882 non-zero elements.
Pdbmat> 287416 atom-atom interactions.
Pdbmat> Number per atom= 167.44 +/- 51.49
Maximum number = 252
Minimum number = 19
Pdbmat> Matrix trace = 5.748320E+06
Pdbmat> Larger element = 917.264
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
216 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2405021543434120385.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 2
Origin of MASS values = CONS
MATRix FORMat = BINA
Temporary files cleaning = ALL
Output PRINting level = 2
Diagrtb> Memory allocation for Blocpdb.
Blocpdb> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.xyzm
Blocpdb> Coordinate file 2405021543434120385.atom to be opened.
Openam> file on opening on unit 11:
2405021543434120385.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 3433 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 216 residues.
Blocpdb> 26 atoms in block 1
Block first atom: 1
Blocpdb> 44 atoms in block 2
Block first atom: 27
Blocpdb> 44 atoms in block 3
Block first atom: 71
Blocpdb> 34 atoms in block 4
Block first atom: 115
Blocpdb> 33 atoms in block 5
Block first atom: 149
Blocpdb> 31 atoms in block 6
Block first atom: 182
Blocpdb> 36 atoms in block 7
Block first atom: 213
Blocpdb> 21 atoms in block 8
Block first atom: 249
Blocpdb> 28 atoms in block 9
Block first atom: 270
Blocpdb> 26 atoms in block 10
Block first atom: 298
Blocpdb> 28 atoms in block 11
Block first atom: 324
Blocpdb> 40 atoms in block 12
Block first atom: 352
Blocpdb> 40 atoms in block 13
Block first atom: 392
Blocpdb> 34 atoms in block 14
Block first atom: 432
Blocpdb> 29 atoms in block 15
Block first atom: 466
Blocpdb> 34 atoms in block 16
Block first atom: 495
Blocpdb> 33 atoms in block 17
Block first atom: 529
Blocpdb> 30 atoms in block 18
Block first atom: 562
Blocpdb> 25 atoms in block 19
Block first atom: 592
Blocpdb> 26 atoms in block 20
Block first atom: 617
Blocpdb> 26 atoms in block 21
Block first atom: 643
Blocpdb> 26 atoms in block 22
Block first atom: 669
Blocpdb> 28 atoms in block 23
Block first atom: 695
Blocpdb> 27 atoms in block 24
Block first atom: 723
Blocpdb> 34 atoms in block 25
Block first atom: 750
Blocpdb> 26 atoms in block 26
Block first atom: 784
Blocpdb> 32 atoms in block 27
Block first atom: 810
Blocpdb> 18 atoms in block 28
Block first atom: 842
Blocpdb> 34 atoms in block 29
Block first atom: 860
Blocpdb> 39 atoms in block 30
Block first atom: 894
Blocpdb> 28 atoms in block 31
Block first atom: 933
Blocpdb> 39 atoms in block 32
Block first atom: 961
Blocpdb> 24 atoms in block 33
Block first atom: 1000
Blocpdb> 33 atoms in block 34
Block first atom: 1024
Blocpdb> 17 atoms in block 35
Block first atom: 1057
Blocpdb> 36 atoms in block 36
Block first atom: 1074
Blocpdb> 27 atoms in block 37
Block first atom: 1110
Blocpdb> 38 atoms in block 38
Block first atom: 1137
Blocpdb> 22 atoms in block 39
Block first atom: 1175
Blocpdb> 35 atoms in block 40
Block first atom: 1197
Blocpdb> 41 atoms in block 41
Block first atom: 1232
Blocpdb> 32 atoms in block 42
Block first atom: 1273
Blocpdb> 41 atoms in block 43
Block first atom: 1305
Blocpdb> 39 atoms in block 44
Block first atom: 1346
Blocpdb> 30 atoms in block 45
Block first atom: 1385
Blocpdb> 28 atoms in block 46
Block first atom: 1415
Blocpdb> 45 atoms in block 47
Block first atom: 1443
Blocpdb> 26 atoms in block 48
Block first atom: 1488
Blocpdb> 28 atoms in block 49
Block first atom: 1514
Blocpdb> 38 atoms in block 50
Block first atom: 1542
Blocpdb> 27 atoms in block 51
Block first atom: 1580
Blocpdb> 28 atoms in block 52
Block first atom: 1607
Blocpdb> 18 atoms in block 53
Block first atom: 1635
Blocpdb> 30 atoms in block 54
Block first atom: 1653
Blocpdb> 38 atoms in block 55
Block first atom: 1683
Blocpdb> 32 atoms in block 56
Block first atom: 1721
Blocpdb> 25 atoms in block 57
Block first atom: 1753
Blocpdb> 28 atoms in block 58
Block first atom: 1778
Blocpdb> 21 atoms in block 59
Block first atom: 1806
Blocpdb> 22 atoms in block 60
Block first atom: 1827
Blocpdb> 36 atoms in block 61
Block first atom: 1849
Blocpdb> 38 atoms in block 62
Block first atom: 1885
Blocpdb> 29 atoms in block 63
Block first atom: 1923
Blocpdb> 41 atoms in block 64
Block first atom: 1952
Blocpdb> 21 atoms in block 65
Block first atom: 1993
Blocpdb> 28 atoms in block 66
Block first atom: 2014
Blocpdb> 21 atoms in block 67
Block first atom: 2042
Blocpdb> 33 atoms in block 68
Block first atom: 2063
Blocpdb> 38 atoms in block 69
Block first atom: 2096
Blocpdb> 43 atoms in block 70
Block first atom: 2134
Blocpdb> 29 atoms in block 71
Block first atom: 2177
Blocpdb> 38 atoms in block 72
Block first atom: 2206
Blocpdb> 36 atoms in block 73
Block first atom: 2244
Blocpdb> 31 atoms in block 74
Block first atom: 2280
Blocpdb> 34 atoms in block 75
Block first atom: 2311
Blocpdb> 34 atoms in block 76
Block first atom: 2345
Blocpdb> 31 atoms in block 77
Block first atom: 2379
Blocpdb> 48 atoms in block 78
Block first atom: 2410
Blocpdb> 43 atoms in block 79
Block first atom: 2458
Blocpdb> 28 atoms in block 80
Block first atom: 2501
Blocpdb> 38 atoms in block 81
Block first atom: 2529
Blocpdb> 36 atoms in block 82
Block first atom: 2567
Blocpdb> 27 atoms in block 83
Block first atom: 2603
Blocpdb> 43 atoms in block 84
Block first atom: 2630
Blocpdb> 32 atoms in block 85
Block first atom: 2673
Blocpdb> 38 atoms in block 86
Block first atom: 2705
Blocpdb> 22 atoms in block 87
Block first atom: 2743
Blocpdb> 44 atoms in block 88
Block first atom: 2765
Blocpdb> 36 atoms in block 89
Block first atom: 2809
Blocpdb> 22 atoms in block 90
Block first atom: 2845
Blocpdb> 18 atoms in block 91
Block first atom: 2867
Blocpdb> 33 atoms in block 92
Block first atom: 2885
Blocpdb> 33 atoms in block 93
Block first atom: 2918
Blocpdb> 36 atoms in block 94
Block first atom: 2951
Blocpdb> 31 atoms in block 95
Block first atom: 2987
Blocpdb> 14 atoms in block 96
Block first atom: 3018
Blocpdb> 43 atoms in block 97
Block first atom: 3032
Blocpdb> 26 atoms in block 98
Block first atom: 3075
Blocpdb> 36 atoms in block 99
Block first atom: 3101
Blocpdb> 31 atoms in block 100
Block first atom: 3137
Blocpdb> 32 atoms in block 101
Block first atom: 3168
Blocpdb> 33 atoms in block 102
Block first atom: 3200
Blocpdb> 40 atoms in block 103
Block first atom: 3233
Blocpdb> 23 atoms in block 104
Block first atom: 3273
Blocpdb> 41 atoms in block 105
Block first atom: 3296
Blocpdb> 36 atoms in block 106
Block first atom: 3337
Blocpdb> 34 atoms in block 107
Block first atom: 3373
Blocpdb> 27 atoms in block 108
Block first atom: 3406
Blocpdb> 108 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 14 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> 2606990 matrix lines read.
Prepmat> Matrix order = 10299
Prepmat> Matrix trace = 5748320.0000
Prepmat> Last element read: 10299 10299 138.3237
Prepmat> 5887 lines saved.
Prepmat> 4497 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: 3433
RTB> Total mass = 3433.0000
RTB> Number of atoms found in matrix: 3433
RTB> Number of blocks = 108
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 309156.2543
RTB> 48384 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 = 648
Diagstd> Nb of non-zero elements: 48384
Diagstd> Projected matrix trace = 309156.2543
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 648 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 309156.2543
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 8.4672987 12.4802685 17.7294727 19.2585232
23.6234961 24.6568251 26.2115083 27.5610554 35.1450258
37.4730032 42.4236322 46.6846389 47.4576445 49.9250630
51.1667990 53.5565816 58.1574820 59.8237179 62.0024139
62.4691104 62.6742324 64.6147853 67.6469250 72.8078131
73.9321120 78.4551612 80.6362976 81.3556987 82.6666535
86.5164802 89.3305623 90.8651994 92.6447176 96.4737746
97.4278496 100.2104563 102.0608149 104.2859740 105.3953483
106.7095525 112.0527555 112.9020243 114.8982878 116.2275745
117.6793789 118.3125375 121.5022292 126.7411723 127.4476684
131.3396696 132.4027083 135.6095264 136.0523830 138.6181000
140.4189662 141.7812469 142.4537612 144.9399996 148.1733058
149.5927304 150.7512581 151.9369813 154.6491805 158.6709457
159.0855762 160.0897002 162.8200231 165.6844305 168.1098357
168.6644603 172.2008868 173.9663965 174.2679776 176.6589712
178.0203872 179.9420240 181.8517562 183.8677945 186.2253729
188.0146640 188.6949205 192.0566687 193.7948297 194.9426786
198.4896718 199.7650456 201.5186030 202.2520434 205.2449557
208.7317614 209.3271523 209.9651583 212.7890125 213.5845588
216.1620703 218.9959532 219.8312700 222.5812282 223.9672696
226.4970707
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034305 0.0034331 0.0034336 0.0034341 0.0034344
0.0034344 315.9859120 383.6253026 457.2389191 476.5481311
527.7975448 539.2173500 555.9571071 570.0897101 643.7647809
664.7441595 707.2927476 741.9630574 748.0805611 767.2812598
776.7645632 794.6972403 828.1291609 839.9085076 855.0658847
858.2779217 859.6858766 872.8934465 893.1395272 926.5828842
933.7096274 961.8470999 975.1256261 979.4657853 987.3257382
1010.0542529 1026.3495924 1035.1280381 1045.2149460 1066.5959145
1071.8569756 1087.0557064 1097.0458937 1108.9404652 1114.8232100
1121.7521990 1149.4935818 1153.8414725 1163.9975300 1170.7114549
1178.0004708 1181.1652587 1196.9814037 1222.5148414 1225.9174521
1244.4952404 1249.5214463 1264.5627360 1266.6258780 1278.5133026
1286.7914479 1293.0183134 1296.0812877 1307.3425856 1321.8441867
1328.1603925 1333.2934726 1338.5266643 1350.4207164 1367.8673564
1369.6534094 1373.9691323 1385.6360896 1397.7713351 1407.9649452
1410.2855978 1424.9937914 1432.2801205 1433.5210542 1443.3216584
1448.8724383 1456.6713577 1464.3808135 1472.4756229 1481.8856978
1488.9878079 1491.6790320 1504.9080872 1511.7026464 1516.1729526
1529.9042007 1534.8114473 1541.5330920 1544.3358005 1555.7203276
1568.8793592 1571.1153179 1573.5077893 1584.0536255 1587.0119838
1596.5591970 1606.9905580 1610.0524152 1620.0915153 1625.1279439
1634.2804107
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 3433
Rtb_to_modes> Number of blocs = 108
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: 9.9799E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9949E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9979E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0001E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0003E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 8.467
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 12.48
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 17.73
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 19.26
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 23.62
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 24.66
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 26.21
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 27.56
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 35.15
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 37.47
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 42.42
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 46.68
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 47.46
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 49.93
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 51.17
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 53.56
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 58.16
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 59.82
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 62.00
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 62.47
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 62.67
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 64.61
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 67.65
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 72.81
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 73.93
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 78.46
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 80.64
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 81.36
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 82.67
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 86.52
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 89.33
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 90.87
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 92.64
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 96.47
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 97.43
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 100.2
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 102.1
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 105.4
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 106.7
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 112.1
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 112.9
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 114.9
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 116.2
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 117.7
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 118.3
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 121.5
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 126.7
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 127.4
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 131.3
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 132.4
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 135.6
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 136.1
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 138.6
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 140.4
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 141.8
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 142.5
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 144.9
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 148.2
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 149.6
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 150.8
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 151.9
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 154.6
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 158.7
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 159.1
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 160.1
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 162.8
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 165.7
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 168.1
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 168.7
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 172.2
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 174.0
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 174.3
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 176.7
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 178.0
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 179.9
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 181.9
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 183.9
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 186.2
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 188.0
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 188.7
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 192.1
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 193.8
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 194.9
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 198.5
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 199.8
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 201.5
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 202.3
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 205.2
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 208.7
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 209.3
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 210.0
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 212.8
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 213.6
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 216.2
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 219.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 219.8
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 222.6
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 224.0
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 226.5
Rtb_to_modes> 106 vectors, with 648 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 0.99999 0.99998 1.00002 0.99999
1.00002 0.99998 1.00005 1.00002 0.99997
0.99997 1.00004 1.00000 0.99998 1.00002
0.99999 0.99998 0.99997 1.00001 1.00000
1.00001 0.99999 0.99998 0.99999 1.00000
1.00000 1.00002 1.00001 0.99998 0.99998
0.99999 1.00000 1.00000 1.00000 1.00003
0.99998 1.00003 1.00003 1.00002 0.99999
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 0.99998 1.00003 1.00001 1.00000
1.00002 1.00001 1.00001 1.00001 1.00001
1.00002 1.00000 0.99998 1.00002 0.99998
1.00001 0.99998 1.00003 1.00000 1.00000
1.00001 1.00001 0.99999 1.00000 1.00001
0.99997 0.99999 1.00001 1.00002 0.99997
1.00000 1.00003 1.00000 0.99999 0.99999
1.00001 1.00003 0.99999 0.99998 0.99998
1.00002 0.99999 1.00000 1.00001 1.00000
1.00002 0.99999 1.00000 0.99997 1.00000
1.00000 1.00001 1.00000 1.00000 1.00002
1.00004 0.99998 0.99999 1.00000 1.00004
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 61794 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 0.99999 0.99998 1.00002 0.99999
1.00002 0.99998 1.00005 1.00002 0.99997
0.99997 1.00004 1.00000 0.99998 1.00002
0.99999 0.99998 0.99997 1.00001 1.00000
1.00001 0.99999 0.99998 0.99999 1.00000
1.00000 1.00002 1.00001 0.99998 0.99998
0.99999 1.00000 1.00000 1.00000 1.00003
0.99998 1.00003 1.00003 1.00002 0.99999
1.00001 1.00000 1.00001 1.00000 0.99999
1.00000 0.99998 1.00003 1.00001 1.00000
1.00002 1.00001 1.00001 1.00001 1.00001
1.00002 1.00000 0.99998 1.00002 0.99998
1.00001 0.99998 1.00003 1.00000 1.00000
1.00001 1.00001 0.99999 1.00000 1.00001
0.99997 0.99999 1.00001 1.00002 0.99997
1.00000 1.00003 1.00000 0.99999 0.99999
1.00001 1.00003 0.99999 0.99998 0.99998
1.00002 0.99999 1.00000 1.00001 1.00000
1.00002 0.99999 1.00000 0.99997 1.00000
1.00000 1.00001 1.00000 1.00000 1.00002
1.00004 0.99998 0.99999 1.00000 1.00004
1.00001
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> 2405021543434120385.eigenfacs
Openam> file on opening on unit 10:
2405021543434120385.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2405021543434120385.atom
Openam> file on opening on unit 11:
2405021543434120385.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 = 216
First residue number = 937
Last residue number = 1152
Number of atoms found = 3433
Mean number per residue = 15.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9799E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9949E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9979E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0001E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0003E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 8.467
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 12.48
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 17.73
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 19.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 23.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 24.66
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 26.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 27.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 35.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 37.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 42.42
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 46.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 47.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 49.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 51.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 53.56
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 58.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 59.82
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 62.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 62.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 62.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 64.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 67.65
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 72.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 73.93
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 78.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 80.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 81.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 82.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 86.52
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 89.33
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 90.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 92.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 96.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 97.43
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 100.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 102.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 105.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 106.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 112.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 112.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 114.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 116.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 117.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 118.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 121.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 126.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 127.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 131.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 132.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 135.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 136.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 138.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 140.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 141.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 142.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 144.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 148.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 149.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 150.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 151.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 154.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 158.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 159.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 160.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 162.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 165.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 168.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 168.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 172.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 174.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 174.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 176.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 178.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 179.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 181.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 183.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 186.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 188.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 188.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 192.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 193.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 194.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 198.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 199.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 201.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 202.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 205.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 208.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 209.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 210.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 212.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 213.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 216.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 219.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 219.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 222.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 224.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 226.5
Bfactors> 106 vectors, 10299 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 : 8.467000
Bfactors> 100 eigenvectors will be considered.
Bfactors> Rotation-Tranlation modes are skipped.
Bfactors> Mass-weighted B-factors are computed.
(CHARMM units assumed for eigenvalues)
%Bfactors-Wn> Experimental B-factors are nearly constant !
Bfactors> = 0.004 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.004
Bfactors> Scaling-fct= 0.000
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2405021543434120385 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.7.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2405021543434120385 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.8.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2405021543434120385 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.9.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2405021543434120385 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.10.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2405021543434120385 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.11.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2405021543434120385 12 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.12.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2405021543434120385 13 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.13.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2405021543434120385 14 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.14.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2405021543434120385 15 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.15.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2405021543434120385 16 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.16.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2405021543434120385 17 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.17.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2405021543434120385 18 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.18.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2405021543434120385 19 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.19.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2405021543434120385 20 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.20.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2405021543434120385 21 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.21.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2405021543434120385 22 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.22.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2405021543434120385 23 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.23.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2405021543434120385 24 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.24.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2405021543434120385 25 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.25.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2405021543434120385 26 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.26.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2405021543434120385 27 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.27.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2405021543434120385 28 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.28.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2405021543434120385 29 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.29.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2405021543434120385 30 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.30.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2405021543434120385 31 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=-20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=0
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=20
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=40
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=60
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=80
2405021543434120385.eigenfacs
2405021543434120385.atom
calculating perturbed structure for DQ=100
2405021543434120385.eigenfacs
2405021543434120385.atom
making animated gifs
11 models are in 2405021543434120385.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
11 models are in 2405021543434120385.31.pdb, 1 models will be skipped
MODEL 1 will be plotted
MODEL 3 will be plotted
MODEL 5 will be plotted
MODEL 7 will be plotted
MODEL 9 will be plotted
MODEL 11 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2405021543434120385.10.pdb
2405021543434120385.11.pdb
2405021543434120385.12.pdb
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2405021543434120385.20.pdb
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2405021543434120385.30.pdb
2405021543434120385.31.pdb
2405021543434120385.7.pdb
2405021543434120385.8.pdb
2405021543434120385.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m9.106s
user 0m8.991s
sys 0m0.092s
../../bin/check_modes: error while loading shared libraries: libgfortran.so.3: cannot open shared object file: No such file or directory
mv: cannot stat 'Chkmod.res': No such file or directory
cat: 2405021543434120385.Chkmod.res: No such file or directory
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elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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