***  FXIa WT  ***
Output from eigenvector calculation:
STDOUT:
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 = 2602060506152857763.atom
Pdbmat> Distance cutoff = 15.00
Force constant = 10.00
Origin of mass values = CONS
Pdbmat> Levelshift = 1.0E-09
PRINTing level = 2
Pdbmat> Coordinate file 2602060506152857763.atom to be opened.
Openam> File opened: 2602060506152857763.atom
Pdbmat> Coordinate file in PDB format.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1888
Mean number per residue = 7.9
Pdbmat> Coordinate statistics:
= -1.041942 +/- 10.001004 From: -25.686000 To: 21.960000
= -0.076352 +/- 9.261963 From: -19.499000 To: 21.070000
= -0.495512 +/- 10.023891 From: -27.224000 To: 21.952000
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 21.6280 % Filled.
Pdbmat> 3469847 non-zero elements.
Pdbmat> 384311 atom-atom interactions.
Pdbmat> Number per atom= 407.11 +/- 141.88
Maximum number = 736
Minimum number = 80
Pdbmat> Matrix trace = 7.686220E+06
Pdbmat> Larger element = 2578.13
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
238 non-zero elements, NRBL set to 2
Diagonalize Tirion matrix using diagrtb
Diagrtb> Diagonalizes a matrix, using the RTB/BNM approximation.
Diagrtb> Version 2.52, November 2004.
Diagrtb> Options to be read in diagrtb.dat file.
Diagrtb> Options taken into account:
MATRix filename = pdbmat.sdijb
COORdinates filename = 2602060506152857763.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 2602060506152857763.atom to be opened.
Openam> file on opening on unit 11:
2602060506152857763.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 1888 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 2 residue(s) per block.
Blocpdb> 238 residues.
Blocpdb> 15 atoms in block 1
Block first atom: 1
Blocpdb> 8 atoms in block 2
Block first atom: 16
Blocpdb> 12 atoms in block 3
Block first atom: 24
Blocpdb> 13 atoms in block 4
Block first atom: 36
Blocpdb> 15 atoms in block 5
Block first atom: 49
Blocpdb> 23 atoms in block 6
Block first atom: 64
Blocpdb> 21 atoms in block 7
Block first atom: 87
Blocpdb> 16 atoms in block 8
Block first atom: 108
Blocpdb> 15 atoms in block 9
Block first atom: 124
Blocpdb> 17 atoms in block 10
Block first atom: 139
Blocpdb> 13 atoms in block 11
Block first atom: 156
Blocpdb> 14 atoms in block 12
Block first atom: 169
Blocpdb> 20 atoms in block 13
Block first atom: 183
Blocpdb> 18 atoms in block 14
Block first atom: 203
Blocpdb> 10 atoms in block 15
Block first atom: 221
Blocpdb> 10 atoms in block 16
Block first atom: 231
Blocpdb> 16 atoms in block 17
Block first atom: 241
Blocpdb> 12 atoms in block 18
Block first atom: 257
Blocpdb> 23 atoms in block 19
Block first atom: 269
Blocpdb> 16 atoms in block 20
Block first atom: 292
Blocpdb> 12 atoms in block 21
Block first atom: 308
Blocpdb> 15 atoms in block 22
Block first atom: 320
Blocpdb> 17 atoms in block 23
Block first atom: 335
Blocpdb> 16 atoms in block 24
Block first atom: 352
Blocpdb> 16 atoms in block 25
Block first atom: 368
Blocpdb> 13 atoms in block 26
Block first atom: 384
Blocpdb> 17 atoms in block 27
Block first atom: 397
Blocpdb> 19 atoms in block 28
Block first atom: 414
Blocpdb> 19 atoms in block 29
Block first atom: 433
Blocpdb> 10 atoms in block 30
Block first atom: 452
Blocpdb> 16 atoms in block 31
Block first atom: 462
Blocpdb> 17 atoms in block 32
Block first atom: 478
Blocpdb> 15 atoms in block 33
Block first atom: 495
Blocpdb> 17 atoms in block 34
Block first atom: 510
Blocpdb> 17 atoms in block 35
Block first atom: 527
Blocpdb> 13 atoms in block 36
Block first atom: 544
Blocpdb> 22 atoms in block 37
Block first atom: 557
Blocpdb> 11 atoms in block 38
Block first atom: 579
Blocpdb> 18 atoms in block 39
Block first atom: 590
Blocpdb> 16 atoms in block 40
Block first atom: 608
Blocpdb> 18 atoms in block 41
Block first atom: 624
Blocpdb> 17 atoms in block 42
Block first atom: 642
Blocpdb> 21 atoms in block 43
Block first atom: 659
Blocpdb> 13 atoms in block 44
Block first atom: 680
Blocpdb> 15 atoms in block 45
Block first atom: 693
Blocpdb> 16 atoms in block 46
Block first atom: 708
Blocpdb> 16 atoms in block 47
Block first atom: 724
Blocpdb> 13 atoms in block 48
Block first atom: 740
Blocpdb> 17 atoms in block 49
Block first atom: 753
Blocpdb> 17 atoms in block 50
Block first atom: 770
Blocpdb> 14 atoms in block 51
Block first atom: 787
Blocpdb> 15 atoms in block 52
Block first atom: 801
Blocpdb> 19 atoms in block 53
Block first atom: 816
Blocpdb> 14 atoms in block 54
Block first atom: 835
Blocpdb> 20 atoms in block 55
Block first atom: 849
Blocpdb> 15 atoms in block 56
Block first atom: 869
Blocpdb> 14 atoms in block 57
Block first atom: 884
Blocpdb> 13 atoms in block 58
Block first atom: 898
Blocpdb> 13 atoms in block 59
Block first atom: 911
Blocpdb> 19 atoms in block 60
Block first atom: 924
Blocpdb> 15 atoms in block 61
Block first atom: 943
Blocpdb> 20 atoms in block 62
Block first atom: 958
Blocpdb> 15 atoms in block 63
Block first atom: 978
Blocpdb> 20 atoms in block 64
Block first atom: 993
Blocpdb> 14 atoms in block 65
Block first atom: 1013
Blocpdb> 18 atoms in block 66
Block first atom: 1027
Blocpdb> 16 atoms in block 67
Block first atom: 1045
Blocpdb> 20 atoms in block 68
Block first atom: 1061
Blocpdb> 19 atoms in block 69
Block first atom: 1081
Blocpdb> 17 atoms in block 70
Block first atom: 1100
Blocpdb> 17 atoms in block 71
Block first atom: 1117
Blocpdb> 15 atoms in block 72
Block first atom: 1134
Blocpdb> 17 atoms in block 73
Block first atom: 1149
Blocpdb> 14 atoms in block 74
Block first atom: 1166
Blocpdb> 17 atoms in block 75
Block first atom: 1180
Blocpdb> 15 atoms in block 76
Block first atom: 1197
Blocpdb> 14 atoms in block 77
Block first atom: 1212
Blocpdb> 17 atoms in block 78
Block first atom: 1226
Blocpdb> 15 atoms in block 79
Block first atom: 1243
Blocpdb> 18 atoms in block 80
Block first atom: 1258
Blocpdb> 23 atoms in block 81
Block first atom: 1276
Blocpdb> 15 atoms in block 82
Block first atom: 1299
Blocpdb> 19 atoms in block 83
Block first atom: 1314
Blocpdb> 15 atoms in block 84
Block first atom: 1333
Blocpdb> 19 atoms in block 85
Block first atom: 1348
Blocpdb> 16 atoms in block 86
Block first atom: 1367
Blocpdb> 11 atoms in block 87
Block first atom: 1383
Blocpdb> 16 atoms in block 88
Block first atom: 1394
Blocpdb> 20 atoms in block 89
Block first atom: 1410
Blocpdb> 8 atoms in block 90
Block first atom: 1430
Blocpdb> 17 atoms in block 91
Block first atom: 1438
Blocpdb> 11 atoms in block 92
Block first atom: 1455
Blocpdb> 13 atoms in block 93
Block first atom: 1466
Blocpdb> 14 atoms in block 94
Block first atom: 1479
Blocpdb> 8 atoms in block 95
Block first atom: 1493
Blocpdb> 15 atoms in block 96
Block first atom: 1501
Blocpdb> 12 atoms in block 97
Block first atom: 1516
Blocpdb> 19 atoms in block 98
Block first atom: 1528
Blocpdb> 17 atoms in block 99
Block first atom: 1547
Blocpdb> 21 atoms in block 100
Block first atom: 1564
Blocpdb> 18 atoms in block 101
Block first atom: 1585
Blocpdb> 11 atoms in block 102
Block first atom: 1603
Blocpdb> 15 atoms in block 103
Block first atom: 1614
Blocpdb> 20 atoms in block 104
Block first atom: 1629
Blocpdb> 13 atoms in block 105
Block first atom: 1649
Blocpdb> 10 atoms in block 106
Block first atom: 1662
Blocpdb> 14 atoms in block 107
Block first atom: 1672
Blocpdb> 20 atoms in block 108
Block first atom: 1686
Blocpdb> 18 atoms in block 109
Block first atom: 1706
Blocpdb> 11 atoms in block 110
Block first atom: 1724
Blocpdb> 19 atoms in block 111
Block first atom: 1735
Blocpdb> 15 atoms in block 112
Block first atom: 1754
Blocpdb> 16 atoms in block 113
Block first atom: 1769
Blocpdb> 19 atoms in block 114
Block first atom: 1785
Blocpdb> 22 atoms in block 115
Block first atom: 1804
Blocpdb> 16 atoms in block 116
Block first atom: 1826
Blocpdb> 18 atoms in block 117
Block first atom: 1842
Blocpdb> 16 atoms in block 118
Block first atom: 1860
Blocpdb> 13 atoms in block 119
Block first atom: 1875
Blocpdb> 119 blocks.
Blocpdb> At most, 23 atoms in each of them.
Blocpdb> At least, 8 atoms in each of them.
Blocpdb> Normal end of Blocpdb.
Diagrtb> Memory allocation for Prepmat.
Diagrtb> Memory allocation for RTB.
Diagrtb> Memory allocation for Diagstd.
Diagrtb> Memory allocation for RTB_to_modes.
Prepmat> Entering in.
Prepmat> Rewriting of the matrix begins.
Prepmat> 3469966 matrix lines read.
Prepmat> Matrix order = 5664
Prepmat> Matrix trace = 7686220.0000
Prepmat> Last element read: 5664 5664 482.3726
Prepmat> 7141 lines saved.
Prepmat> 3837 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: 1888
RTB> Total mass = 1888.0000
RTB> Number of atoms found in matrix: 1888
RTB> Number of blocks = 119
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 946424.9995
RTB> 117123 non-zero elements.
RTB> Normal end of RTB.
Diagstd> Entering in.
Openam> file on opening on unit 10:
diagrtb_work.sdijb
Diagstd> Projected matrix to be read from file: diagrtb_work.sdijb
Diagstd> CERFACS matrix format.
Diagstd> Projected matrix order = 714
Diagstd> Nb of non-zero elements: 117123
Diagstd> Projected matrix trace = 946424.9995
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 714 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 946424.9995
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 93.0121025 103.9389705 114.2546889 148.1871418
157.9576340 191.1653602 202.4565377 204.0963797 231.4113272
234.2268090 237.7044975 259.9849103 268.7160519 275.0949382
278.0546136 293.8889155 297.9109015 307.6900745 314.7951327
318.2257038 323.5642478 328.2563769 333.5025622 344.8482495
348.1480972 354.8660634 365.8855254 369.1942680 375.6445673
377.4110562 381.9560261 386.8605957 393.1601740 408.3055728
410.2923726 419.3531084 421.9023979 426.7703789 430.8946136
437.4491848 442.0786223 451.1238121 457.5467950 459.7312036
461.5968206 471.4334312 483.2569953 484.4526107 485.9042508
492.5312546 497.6873509 500.3866632 504.8387744 514.5484391
518.6573008 527.5090076 531.3201732 535.8039662 541.9433290
549.5455256 556.4435479 558.0951349 565.1723840 572.5300640
576.5828850 579.3277114 584.7030380 589.7730147 598.2204649
608.6908013 612.1984564 615.2821528 616.7783579 625.3197210
626.3963570 636.8804893 639.7217501 640.9367290 648.8448905
653.4992363 657.2723748 660.1268753 663.7722304 667.2993858
671.6623848 675.4053995 678.4147945 685.8886686 688.6637932
689.4237457 695.4671696 697.3550824 700.5058606 704.3530702
709.2017795 715.8098349 719.4432232 721.9128320 726.4262051
728.2769387
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034125 0.0034256 0.0034274 0.0034314 0.0034318
0.0034395 1047.2853081 1107.0939710 1160.7329052 1321.9059005
1364.7892412 1501.4119908 1545.1163317 1551.3612196 1651.9145819
1661.9332669 1674.2256055 1750.9322874 1780.0905117 1801.0948313
1810.7576682 1861.6021994 1874.2972937 1904.8115849 1926.6786488
1937.1484711 1953.3296591 1967.4416732 1983.1011559 2016.5513857
2026.1765895 2045.6320279 2077.1501663 2086.5209761 2104.6691557
2109.6120115 2122.2764916 2135.8587505 2153.1785246 2194.2592308
2199.5913442 2223.7461723 2230.4951185 2243.3261274 2254.1396222
2271.2193839 2283.2056861 2306.4452828 2322.8065342 2328.3446747
2333.0641732 2357.7918854 2387.1755350 2390.1267397 2393.7050139
2409.9730037 2422.5546430 2429.1153772 2439.8977814 2463.2495539
2473.0649824 2494.0790837 2503.0725240 2513.6120074 2527.9717573
2545.6407730 2561.5676847 2565.3663784 2581.5809440 2598.3307239
2607.5110269 2613.7101942 2625.8079293 2637.1675850 2655.9868059
2679.1291494 2686.8374648 2693.5958806 2696.8689521 2715.4783400
2717.8150041 2740.4649542 2746.5710533 2749.1780013 2766.0862942
2775.9895214 2783.9919161 2790.0307344 2797.7236877 2805.1471164
2814.3026125 2822.1334374 2828.4137208 2843.9509009 2849.6984453
2851.2703578 2863.7400745 2867.6243897 2874.0953152 2881.9768388
2891.8794730 2905.3209170 2912.6851615 2917.6800175 2926.7864217
2930.5123723
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 1888
Rtb_to_modes> Number of blocs = 119
Openam> file on opening on unit 10:
diagrtb_work.eigenfacs
Openam> file on opening on unit 11:
matrix.eigenrtb
Rdmodfacs> Entering in.
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Eigenvector number: 1
Rdmodfacs> Corresponding eigenvalue: 9.8751E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9516E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9621E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 9.9853E-10
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 9.9875E-10
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0033E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 93.01
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 103.9
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 114.3
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 148.2
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 158.0
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 191.2
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 202.5
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 204.1
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 231.4
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 234.2
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 237.7
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 260.0
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 268.7
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 275.1
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 278.1
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 293.9
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 297.9
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 307.7
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 314.8
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 318.2
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 323.6
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 328.3
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 333.5
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 344.8
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 348.1
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 354.9
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 365.9
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 369.2
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 375.6
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 377.4
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 382.0
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 386.9
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 393.2
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 408.3
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 410.3
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 419.4
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 421.9
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 426.8
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 430.9
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 437.4
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 442.1
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 451.1
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 457.5
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 459.7
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 461.6
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 471.4
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 483.3
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 484.5
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 485.9
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 492.5
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 497.7
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 500.4
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 504.8
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 514.5
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 518.7
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 527.5
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 531.3
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 535.8
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 541.9
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 549.5
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 556.4
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 558.1
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 565.2
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 572.5
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 576.6
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 579.3
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 584.7
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 589.8
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 598.2
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 608.7
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 612.2
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 615.3
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 616.8
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 625.3
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 626.4
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 636.9
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 639.7
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 640.9
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 648.8
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 653.5
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 657.3
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 660.1
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 663.8
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 667.3
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 671.7
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 675.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 678.4
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 685.9
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 688.7
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 689.4
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 695.5
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 697.4
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 700.5
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 704.4
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 709.2
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 715.8
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 719.4
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 721.9
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 726.4
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 728.3
Rtb_to_modes> 106 vectors, with 714 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00002 1.00000 1.00000 1.00002 0.99997
0.99998 1.00002 0.99999 0.99999 1.00000
0.99999 0.99998 1.00002 1.00002 1.00003
1.00000 0.99999 1.00001 1.00000 1.00002
1.00001 0.99999 0.99998 0.99998 0.99999
1.00000 1.00001 1.00002 0.99997 1.00002
1.00000 1.00003 0.99999 1.00001 0.99996
0.99997 1.00001 1.00004 0.99996 0.99996
0.99997 1.00002 1.00001 0.99999 1.00000
0.99999 0.99999 1.00004 0.99999 0.99997
0.99998 0.99999 1.00001 0.99997 1.00003
1.00002 0.99999 1.00000 0.99999 1.00001
1.00000 1.00004 0.99999 1.00003 1.00003
0.99998 1.00001 1.00000 0.99999 1.00000
1.00001 1.00000 0.99999 0.99999 0.99999
0.99999 1.00000 0.99999 0.99998 1.00002
1.00001 0.99998 0.99997 1.00002 0.99998
1.00003 1.00000 1.00002 0.99996 0.99998
1.00002 1.00003 1.00000 0.99999 0.99995
0.99999 1.00000 1.00001 0.99999 1.00004
1.00000 0.99999 0.99999 1.00005 0.99997
0.99996
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 33984 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00002 1.00000 1.00000 1.00002 0.99997
0.99998 1.00002 0.99999 0.99999 1.00000
0.99999 0.99998 1.00002 1.00002 1.00003
1.00000 0.99999 1.00001 1.00000 1.00002
1.00001 0.99999 0.99998 0.99998 0.99999
1.00000 1.00001 1.00002 0.99997 1.00002
1.00000 1.00003 0.99999 1.00001 0.99996
0.99997 1.00001 1.00004 0.99996 0.99996
0.99997 1.00002 1.00001 0.99999 1.00000
0.99999 0.99999 1.00004 0.99999 0.99997
0.99998 0.99999 1.00001 0.99997 1.00003
1.00002 0.99999 1.00000 0.99999 1.00001
1.00000 1.00004 0.99999 1.00003 1.00003
0.99998 1.00001 1.00000 0.99999 1.00000
1.00001 1.00000 0.99999 0.99999 0.99999
0.99999 1.00000 0.99999 0.99998 1.00002
1.00001 0.99998 0.99997 1.00002 0.99998
1.00003 1.00000 1.00002 0.99996 0.99998
1.00002 1.00003 1.00000 0.99999 0.99995
0.99999 1.00000 1.00001 0.99999 1.00004
1.00000 0.99999 0.99999 1.00005 0.99997
0.99996
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> 2602060506152857763.eigenfacs
Openam> file on opening on unit 10:
2602060506152857763.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2602060506152857763.atom
Openam> file on opening on unit 11:
2602060506152857763.atom
Getnum> Number of skipped eigenvectors ?
Getnum> 0
Getnum> Number of usefull eigenvectors ?
Getnum> 10000
%Getnum-Err: number larger than 106 This is not allowed. Sorry.
Rdatompdb> Reading pdb file.
Rdatompdb> End of file reached.
Rdatompdb> Number of I/O errors: 0
Rdatompdb> Number of residues found = 238
First residue number = 1
Last residue number = 238
Number of atoms found = 1888
Mean number per residue = 7.9
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.8751E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9516E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9621E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9853E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9875E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0033E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 93.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 103.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 114.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 148.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 158.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 191.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 202.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 204.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 231.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 234.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 237.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 260.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 268.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 275.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 278.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 293.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 297.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 307.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 314.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 318.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 323.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 328.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 333.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 344.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 348.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 354.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 365.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 369.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 375.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 377.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 382.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 386.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 393.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 408.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 410.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 419.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 421.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 426.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 430.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 437.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 442.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 451.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 457.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 459.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 461.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 471.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 483.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 484.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 485.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 492.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 497.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 500.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 504.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 514.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 518.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 527.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 531.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 535.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 541.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 549.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 556.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 558.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 565.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 572.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 576.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 579.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 584.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 589.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 598.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 608.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 612.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 615.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 616.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 625.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 626.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 636.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 639.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 640.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 648.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 653.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 657.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 660.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 663.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 667.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 671.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 675.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 678.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 685.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 688.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 689.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 695.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 697.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 700.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 704.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 709.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 715.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 719.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 721.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 726.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 728.3
Bfactors> 106 vectors, 5664 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 : 93.010000
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= -0.612 for 238 C-alpha atoms.
Bfactors> = 0.001 +/- 0.00
Bfactors> = 97.290 +/- 4.52
Bfactors> Shiftng-fct= 97.288
Bfactors> Scaling-fct= 1990.366
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
Chkmod> Version 1.00, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2602060506152857763.eigenfacs
Openam> file on opening on unit 10:
2602060506152857763.eigenfacs
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Frequence du vecteur en lecture: 3.4123E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Frequence du vecteur en lecture: 3.4255E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Frequence du vecteur en lecture: 3.4273E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Frequence du vecteur en lecture: 3.4313E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Frequence du vecteur en lecture: 3.4317E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Frequence du vecteur en lecture: 3.4395E-03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Frequence du vecteur en lecture: 1047.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Frequence du vecteur en lecture: 1107.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Frequence du vecteur en lecture: 1161.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Frequence du vecteur en lecture: 1322.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Frequence du vecteur en lecture: 1365.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Frequence du vecteur en lecture: 1501.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Frequence du vecteur en lecture: 1545.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Frequence du vecteur en lecture: 1551.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Frequence du vecteur en lecture: 1652.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Frequence du vecteur en lecture: 1662.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Frequence du vecteur en lecture: 1674.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Frequence du vecteur en lecture: 1751.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Frequence du vecteur en lecture: 1780.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Frequence du vecteur en lecture: 1801.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Frequence du vecteur en lecture: 1811.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Frequence du vecteur en lecture: 1862.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Frequence du vecteur en lecture: 1874.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Frequence du vecteur en lecture: 1905.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Frequence du vecteur en lecture: 1927.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Frequence du vecteur en lecture: 1937.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Frequence du vecteur en lecture: 1953.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Frequence du vecteur en lecture: 1967.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Frequence du vecteur en lecture: 1983.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Frequence du vecteur en lecture: 2016.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Frequence du vecteur en lecture: 2026.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Frequence du vecteur en lecture: 2046.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Frequence du vecteur en lecture: 2077.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Frequence du vecteur en lecture: 2086.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Frequence du vecteur en lecture: 2104.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Frequence du vecteur en lecture: 2109.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Frequence du vecteur en lecture: 2122.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Frequence du vecteur en lecture: 2136.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Frequence du vecteur en lecture: 2153.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Frequence du vecteur en lecture: 2194.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Frequence du vecteur en lecture: 2200.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Frequence du vecteur en lecture: 2224.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Frequence du vecteur en lecture: 2230.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Frequence du vecteur en lecture: 2243.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Frequence du vecteur en lecture: 2254.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Frequence du vecteur en lecture: 2271.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Frequence du vecteur en lecture: 2283.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Frequence du vecteur en lecture: 2306.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Frequence du vecteur en lecture: 2323.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Frequence du vecteur en lecture: 2328.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Frequence du vecteur en lecture: 2333.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Frequence du vecteur en lecture: 2358.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Frequence du vecteur en lecture: 2387.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Frequence du vecteur en lecture: 2390.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Frequence du vecteur en lecture: 2394.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Frequence du vecteur en lecture: 2410.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Frequence du vecteur en lecture: 2422.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Frequence du vecteur en lecture: 2429.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Frequence du vecteur en lecture: 2440.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Frequence du vecteur en lecture: 2463.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Frequence du vecteur en lecture: 2473.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Frequence du vecteur en lecture: 2494.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Frequence du vecteur en lecture: 2503.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Frequence du vecteur en lecture: 2513.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Frequence du vecteur en lecture: 2528.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Frequence du vecteur en lecture: 2545.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Frequence du vecteur en lecture: 2561.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Frequence du vecteur en lecture: 2565.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Frequence du vecteur en lecture: 2582.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Frequence du vecteur en lecture: 2598.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Frequence du vecteur en lecture: 2607.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Frequence du vecteur en lecture: 2614.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Frequence du vecteur en lecture: 2626.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Frequence du vecteur en lecture: 2637.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Frequence du vecteur en lecture: 2656.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Frequence du vecteur en lecture: 2679.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Frequence du vecteur en lecture: 2687.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Frequence du vecteur en lecture: 2694.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Frequence du vecteur en lecture: 2697.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Frequence du vecteur en lecture: 2715.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Frequence du vecteur en lecture: 2718.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Frequence du vecteur en lecture: 2740.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Frequence du vecteur en lecture: 2746.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Frequence du vecteur en lecture: 2749.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Frequence du vecteur en lecture: 2766.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Frequence du vecteur en lecture: 2776.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Frequence du vecteur en lecture: 2784.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Frequence du vecteur en lecture: 2790.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Frequence du vecteur en lecture: 2798.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Frequence du vecteur en lecture: 2805.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Frequence du vecteur en lecture: 2814.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Frequence du vecteur en lecture: 2822.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Frequence du vecteur en lecture: 2828.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Frequence du vecteur en lecture: 2844.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Frequence du vecteur en lecture: 2850.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Frequence du vecteur en lecture: 2851.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Frequence du vecteur en lecture: 2864.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Frequence du vecteur en lecture: 2868.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Frequence du vecteur en lecture: 2874.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Frequence du vecteur en lecture: 2882.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Frequence du vecteur en lecture: 2892.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Frequence du vecteur en lecture: 2905.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Frequence du vecteur en lecture: 2912.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Frequence du vecteur en lecture: 2918.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Frequence du vecteur en lecture: 2927.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Frequence du vecteur en lecture: 2930.
Chkmod> 106 vectors, 5664 coordinates in file.
Chkmod> That is: 1888 cartesian points.
Openam> file on opening on unit 11:
Chkmod.res
Chkmod> Collectivity=f(frequency) to be written in this file.
%Chkmod-Wn> Norm of vector 40 is: 0.9999 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 100 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 104 is: 1.0001 (instead of 1.0000).
%Chkmod-Wn> Norm of vector 106 is: 0.9999 (instead of 1.0000).
Chkmod> Normal end.
0.0034 0.8270
0.0034 0.7626
0.0034 0.9234
0.0034 0.8246
0.0034 0.7222
0.0034 0.9132
1047.2285 0.0664
1106.8389 0.3365
1160.9132 0.2088
1321.9065 0.0436
1364.9137 0.3427
1501.4836 0.1653
1545.2158 0.3046
1551.3084 0.2970
1651.8032 0.1922
1661.7668 0.2119
1674.1379 0.0938
1750.9079 0.2411
1779.9609 0.0723
1801.0341 0.1238
1810.8277 0.1717
1861.5574 0.0824
1874.1825 0.2049
1904.7605 0.0482
1926.6108 0.1042
1936.9871 0.1161
1953.3537 0.3587
1967.4879 0.1600
1983.0084 0.1140
2016.3237 0.1554
2025.9497 0.2381
2045.6420 0.1732
2077.1021 0.1094
2086.4476 0.3163
2104.4540 0.1304
2109.4906 0.1733
2122.3075 0.1214
2135.8758 0.1037
2153.1951 0.2121
2194.1501 0.2049
2199.5174 0.2356
2223.7750 0.2859
2230.3930 0.1670
2243.3077 0.2297
2254.0569 0.1399
2270.9942 0.2844
2283.1629 0.1408
2306.2854 0.2300
2322.5880 0.2179
2328.1657 0.2381
2332.9721 0.1201
2357.6071 0.2057
2387.1793 0.1501
2390.1410 0.2842
2393.5918 0.1441
2409.7931 0.3002
2422.4814 0.1265
2429.0435 0.2097
2439.6993 0.2545
2463.0279 0.2342
2473.0606 0.1643
2493.9507 0.1244
2502.9176 0.1107
2513.4948 0.1997
2527.7622 0.1650
2545.4261 0.2309
2561.3575 0.1866
2565.2674 0.2368
2581.5332 0.2406
2598.1510 0.3046
2607.4378 0.2437
2613.5355 0.2418
2625.6884 0.2350
2637.1147 0.1334
2655.8274 0.0816
2679.0344 0.1806
2686.7255 0.1831
2693.5193 0.3297
2696.8005 0.2370
2715.3190 0.2714
2717.7062 0.1054
2740.3893 0.2526
2746.4065 0.3351
2748.9812 0.3199
2765.8719 0.1542
2775.8720 0.2534
2783.9309 0.0762
2789.8542 0.2588
2797.6621 0.1839
2805.0280 0.2121
2814.2606 0.1899
2822.0010 0.2236
2828.2615 0.1940
2843.8523 0.2187
2849.6510 0.2543
2851.0989 0.2168
2863.6847 0.2204
2867.5936 0.3062
2873.9599 0.2434
2881.9491 0.2481
2891.7517 0.2383
2905.1762 0.1482
2912.4726 0.2310
2917.5288 0.2119
2926.6080 0.1998
2930.4330 0.1972
getting mode 7
running: ../../bin/get_modes.sh 2602060506152857763 7 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.7.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 8
running: ../../bin/get_modes.sh 2602060506152857763 8 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.8.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 9
running: ../../bin/get_modes.sh 2602060506152857763 9 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.9.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 10
running: ../../bin/get_modes.sh 2602060506152857763 10 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.10.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 11
running: ../../bin/get_modes.sh 2602060506152857763 11 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.11.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 12
running: ../../bin/get_modes.sh 2602060506152857763 12 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 12
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.12.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 13
running: ../../bin/get_modes.sh 2602060506152857763 13 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 13
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.13.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 14
running: ../../bin/get_modes.sh 2602060506152857763 14 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 14
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.14.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 15
running: ../../bin/get_modes.sh 2602060506152857763 15 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 15
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.15.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 16
running: ../../bin/get_modes.sh 2602060506152857763 16 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 16
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.16.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 17
running: ../../bin/get_modes.sh 2602060506152857763 17 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 17
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.17.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 18
running: ../../bin/get_modes.sh 2602060506152857763 18 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 18
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.18.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 19
running: ../../bin/get_modes.sh 2602060506152857763 19 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 19
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.19.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 20
running: ../../bin/get_modes.sh 2602060506152857763 20 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 20
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.20.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 21
running: ../../bin/get_modes.sh 2602060506152857763 21 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 21
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.21.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 22
running: ../../bin/get_modes.sh 2602060506152857763 22 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 22
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.22.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 23
running: ../../bin/get_modes.sh 2602060506152857763 23 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 23
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.23.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 24
running: ../../bin/get_modes.sh 2602060506152857763 24 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 24
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.24.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 25
running: ../../bin/get_modes.sh 2602060506152857763 25 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 25
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.25.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 26
running: ../../bin/get_modes.sh 2602060506152857763 26 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 26
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.26.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 27
running: ../../bin/get_modes.sh 2602060506152857763 27 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 27
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.27.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 28
running: ../../bin/get_modes.sh 2602060506152857763 28 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 28
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.28.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 29
running: ../../bin/get_modes.sh 2602060506152857763 29 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 29
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.29.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 30
running: ../../bin/get_modes.sh 2602060506152857763 30 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 30
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.30.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
getting mode 31
running: ../../bin/get_modes.sh 2602060506152857763 31 -100 100 50 on 0
normal mode computation
generate a series of perturbations for mode 31
calculating perturbed structure for DQ=-100
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=-50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=0
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=50
2602060506152857763.eigenfacs
2602060506152857763.atom
calculating perturbed structure for DQ=100
2602060506152857763.eigenfacs
2602060506152857763.atom
making animated gifs
5 models are in 2602060506152857763.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
5 models are in 2602060506152857763.31.pdb, 0 models will be skipped
MODEL 1 will be plotted
MODEL 2 will be plotted
MODEL 3 will be plotted
MODEL 4 will be plotted
MODEL 5 will be plotted
making thumbnail 100x100
making small animated gif 100x100
making animated gif 300x300
2602060506152857763.10.pdb
2602060506152857763.11.pdb
2602060506152857763.12.pdb
2602060506152857763.13.pdb
2602060506152857763.14.pdb
2602060506152857763.15.pdb
2602060506152857763.16.pdb
2602060506152857763.17.pdb
2602060506152857763.18.pdb
2602060506152857763.19.pdb
2602060506152857763.20.pdb
2602060506152857763.21.pdb
2602060506152857763.22.pdb
2602060506152857763.23.pdb
2602060506152857763.24.pdb
2602060506152857763.25.pdb
2602060506152857763.26.pdb
2602060506152857763.27.pdb
2602060506152857763.28.pdb
2602060506152857763.29.pdb
2602060506152857763.30.pdb
2602060506152857763.31.pdb
2602060506152857763.7.pdb
2602060506152857763.8.pdb
2602060506152857763.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m6.628s
user 0m6.506s
sys 0m0.120s
rm: cannot remove '2602060506152857763.sdijf': No such file or directory
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If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Between 2015 and 2025, it was hosted by US2B (Nantes).
Last modification: december 26th, 2025.
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