*** zxy ***
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 = 2404230453311989143.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 2404230453311989143.atom to be opened.
Openam> File opened: 2404230453311989143.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 = 343
First residue number = 1
Last residue number = 343
Number of atoms found = 5494
Mean number per residue = 16.0
Pdbmat> Coordinate statistics:
= 21.618067 +/- 10.469862 From: -4.430000 To: 47.943000
= 4.290113 +/- 11.577902 From: -29.741000 To: 32.240000
= -44.336649 +/- 14.183571 From: -74.932000 To: -11.230000
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> 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> 9 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 2.9283 % Filled.
Pdbmat> 3977678 non-zero elements.
Pdbmat> 438371 atom-atom interactions.
Pdbmat> Number per atom= 159.58 +/- 51.53
Maximum number = 257
Minimum number = 21
Pdbmat> Matrix trace = 8.767420E+06
Pdbmat> Larger element = 908.372
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
343 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 = 2404230453311989143.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 2404230453311989143.atom to be opened.
Openam> file on opening on unit 11:
2404230453311989143.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 5494 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> 343 residues.
Blocpdb> 31 atoms in block 1
Block first atom: 1
Blocpdb> 33 atoms in block 2
Block first atom: 32
Blocpdb> 26 atoms in block 3
Block first atom: 65
Blocpdb> 29 atoms in block 4
Block first atom: 91
Blocpdb> 32 atoms in block 5
Block first atom: 120
Blocpdb> 38 atoms in block 6
Block first atom: 152
Blocpdb> 40 atoms in block 7
Block first atom: 190
Blocpdb> 26 atoms in block 8
Block first atom: 230
Blocpdb> 31 atoms in block 9
Block first atom: 256
Blocpdb> 32 atoms in block 10
Block first atom: 287
Blocpdb> 32 atoms in block 11
Block first atom: 319
Blocpdb> 35 atoms in block 12
Block first atom: 351
Blocpdb> 35 atoms in block 13
Block first atom: 386
Blocpdb> 43 atoms in block 14
Block first atom: 421
Blocpdb> 44 atoms in block 15
Block first atom: 464
Blocpdb> 26 atoms in block 16
Block first atom: 508
Blocpdb> 43 atoms in block 17
Block first atom: 534
Blocpdb> 31 atoms in block 18
Block first atom: 577
Blocpdb> 39 atoms in block 19
Block first atom: 608
Blocpdb> 32 atoms in block 20
Block first atom: 647
Blocpdb> 44 atoms in block 21
Block first atom: 679
Blocpdb> 34 atoms in block 22
Block first atom: 723
Blocpdb> 30 atoms in block 23
Block first atom: 757
Blocpdb> 24 atoms in block 24
Block first atom: 787
Blocpdb> 27 atoms in block 25
Block first atom: 811
Blocpdb> 31 atoms in block 26
Block first atom: 838
Blocpdb> 40 atoms in block 27
Block first atom: 869
Blocpdb> 31 atoms in block 28
Block first atom: 909
Blocpdb> 37 atoms in block 29
Block first atom: 940
Blocpdb> 33 atoms in block 30
Block first atom: 977
Blocpdb> 35 atoms in block 31
Block first atom: 1010
Blocpdb> 27 atoms in block 32
Block first atom: 1045
Blocpdb> 25 atoms in block 33
Block first atom: 1072
Blocpdb> 31 atoms in block 34
Block first atom: 1097
Blocpdb> 39 atoms in block 35
Block first atom: 1128
Blocpdb> 23 atoms in block 36
Block first atom: 1167
Blocpdb> 36 atoms in block 37
Block first atom: 1190
Blocpdb> 22 atoms in block 38
Block first atom: 1226
Blocpdb> 37 atoms in block 39
Block first atom: 1248
Blocpdb> 29 atoms in block 40
Block first atom: 1285
Blocpdb> 35 atoms in block 41
Block first atom: 1314
Blocpdb> 39 atoms in block 42
Block first atom: 1349
Blocpdb> 36 atoms in block 43
Block first atom: 1388
Blocpdb> 34 atoms in block 44
Block first atom: 1424
Blocpdb> 37 atoms in block 45
Block first atom: 1458
Blocpdb> 21 atoms in block 46
Block first atom: 1495
Blocpdb> 19 atoms in block 47
Block first atom: 1516
Blocpdb> 36 atoms in block 48
Block first atom: 1535
Blocpdb> 37 atoms in block 49
Block first atom: 1571
Blocpdb> 34 atoms in block 50
Block first atom: 1608
Blocpdb> 41 atoms in block 51
Block first atom: 1642
Blocpdb> 46 atoms in block 52
Block first atom: 1683
Blocpdb> 33 atoms in block 53
Block first atom: 1729
Blocpdb> 30 atoms in block 54
Block first atom: 1762
Blocpdb> 27 atoms in block 55
Block first atom: 1792
Blocpdb> 44 atoms in block 56
Block first atom: 1819
Blocpdb> 32 atoms in block 57
Block first atom: 1863
Blocpdb> 25 atoms in block 58
Block first atom: 1895
Blocpdb> 30 atoms in block 59
Block first atom: 1920
Blocpdb> 29 atoms in block 60
Block first atom: 1950
Blocpdb> 33 atoms in block 61
Block first atom: 1979
Blocpdb> 40 atoms in block 62
Block first atom: 2012
Blocpdb> 32 atoms in block 63
Block first atom: 2052
Blocpdb> 31 atoms in block 64
Block first atom: 2084
Blocpdb> 38 atoms in block 65
Block first atom: 2115
Blocpdb> 45 atoms in block 66
Block first atom: 2153
Blocpdb> 31 atoms in block 67
Block first atom: 2198
Blocpdb> 41 atoms in block 68
Block first atom: 2229
Blocpdb> 26 atoms in block 69
Block first atom: 2270
Blocpdb> 35 atoms in block 70
Block first atom: 2296
Blocpdb> 31 atoms in block 71
Block first atom: 2331
Blocpdb> 26 atoms in block 72
Block first atom: 2362
Blocpdb> 24 atoms in block 73
Block first atom: 2388
Blocpdb> 41 atoms in block 74
Block first atom: 2412
Blocpdb> 33 atoms in block 75
Block first atom: 2453
Blocpdb> 33 atoms in block 76
Block first atom: 2486
Blocpdb> 24 atoms in block 77
Block first atom: 2519
Blocpdb> 33 atoms in block 78
Block first atom: 2543
Blocpdb> 22 atoms in block 79
Block first atom: 2576
Blocpdb> 43 atoms in block 80
Block first atom: 2598
Blocpdb> 21 atoms in block 81
Block first atom: 2641
Blocpdb> 26 atoms in block 82
Block first atom: 2662
Blocpdb> 25 atoms in block 83
Block first atom: 2688
Blocpdb> 35 atoms in block 84
Block first atom: 2713
Blocpdb> 18 atoms in block 85
Block first atom: 2748
Blocpdb> 28 atoms in block 86
Block first atom: 2766
Blocpdb> 35 atoms in block 87
Block first atom: 2794
Blocpdb> 29 atoms in block 88
Block first atom: 2829
Blocpdb> 29 atoms in block 89
Block first atom: 2858
Blocpdb> 38 atoms in block 90
Block first atom: 2887
Blocpdb> 31 atoms in block 91
Block first atom: 2925
Blocpdb> 27 atoms in block 92
Block first atom: 2956
Blocpdb> 28 atoms in block 93
Block first atom: 2983
Blocpdb> 31 atoms in block 94
Block first atom: 3011
Blocpdb> 28 atoms in block 95
Block first atom: 3042
Blocpdb> 48 atoms in block 96
Block first atom: 3070
Blocpdb> 29 atoms in block 97
Block first atom: 3118
Blocpdb> 23 atoms in block 98
Block first atom: 3147
Blocpdb> 36 atoms in block 99
Block first atom: 3170
Blocpdb> 35 atoms in block 100
Block first atom: 3206
Blocpdb> 34 atoms in block 101
Block first atom: 3241
Blocpdb> 17 atoms in block 102
Block first atom: 3275
Blocpdb> 35 atoms in block 103
Block first atom: 3292
Blocpdb> 34 atoms in block 104
Block first atom: 3327
Blocpdb> 31 atoms in block 105
Block first atom: 3361
Blocpdb> 23 atoms in block 106
Block first atom: 3392
Blocpdb> 22 atoms in block 107
Block first atom: 3415
Blocpdb> 26 atoms in block 108
Block first atom: 3437
Blocpdb> 26 atoms in block 109
Block first atom: 3463
Blocpdb> 31 atoms in block 110
Block first atom: 3489
Blocpdb> 29 atoms in block 111
Block first atom: 3520
Blocpdb> 33 atoms in block 112
Block first atom: 3549
Blocpdb> 39 atoms in block 113
Block first atom: 3582
Blocpdb> 33 atoms in block 114
Block first atom: 3621
Blocpdb> 38 atoms in block 115
Block first atom: 3654
Blocpdb> 37 atoms in block 116
Block first atom: 3692
Blocpdb> 36 atoms in block 117
Block first atom: 3729
Blocpdb> 43 atoms in block 118
Block first atom: 3765
Blocpdb> 38 atoms in block 119
Block first atom: 3808
Blocpdb> 30 atoms in block 120
Block first atom: 3846
Blocpdb> 27 atoms in block 121
Block first atom: 3876
Blocpdb> 32 atoms in block 122
Block first atom: 3903
Blocpdb> 21 atoms in block 123
Block first atom: 3935
Blocpdb> 35 atoms in block 124
Block first atom: 3956
Blocpdb> 33 atoms in block 125
Block first atom: 3991
Blocpdb> 39 atoms in block 126
Block first atom: 4024
Blocpdb> 36 atoms in block 127
Block first atom: 4063
Blocpdb> 26 atoms in block 128
Block first atom: 4099
Blocpdb> 37 atoms in block 129
Block first atom: 4125
Blocpdb> 43 atoms in block 130
Block first atom: 4162
Blocpdb> 18 atoms in block 131
Block first atom: 4205
Blocpdb> 31 atoms in block 132
Block first atom: 4223
Blocpdb> 31 atoms in block 133
Block first atom: 4254
Blocpdb> 27 atoms in block 134
Block first atom: 4285
Blocpdb> 22 atoms in block 135
Block first atom: 4312
Blocpdb> 36 atoms in block 136
Block first atom: 4334
Blocpdb> 24 atoms in block 137
Block first atom: 4370
Blocpdb> 34 atoms in block 138
Block first atom: 4394
Blocpdb> 44 atoms in block 139
Block first atom: 4428
Blocpdb> 30 atoms in block 140
Block first atom: 4472
Blocpdb> 36 atoms in block 141
Block first atom: 4502
Blocpdb> 29 atoms in block 142
Block first atom: 4538
Blocpdb> 32 atoms in block 143
Block first atom: 4567
Blocpdb> 39 atoms in block 144
Block first atom: 4599
Blocpdb> 33 atoms in block 145
Block first atom: 4638
Blocpdb> 30 atoms in block 146
Block first atom: 4671
Blocpdb> 34 atoms in block 147
Block first atom: 4701
Blocpdb> 36 atoms in block 148
Block first atom: 4735
Blocpdb> 33 atoms in block 149
Block first atom: 4771
Blocpdb> 18 atoms in block 150
Block first atom: 4804
Blocpdb> 35 atoms in block 151
Block first atom: 4822
Blocpdb> 26 atoms in block 152
Block first atom: 4857
Blocpdb> 26 atoms in block 153
Block first atom: 4883
Blocpdb> 32 atoms in block 154
Block first atom: 4909
Blocpdb> 28 atoms in block 155
Block first atom: 4941
Blocpdb> 34 atoms in block 156
Block first atom: 4969
Blocpdb> 29 atoms in block 157
Block first atom: 5003
Blocpdb> 30 atoms in block 158
Block first atom: 5032
Blocpdb> 36 atoms in block 159
Block first atom: 5062
Blocpdb> 29 atoms in block 160
Block first atom: 5098
Blocpdb> 24 atoms in block 161
Block first atom: 5127
Blocpdb> 24 atoms in block 162
Block first atom: 5151
Blocpdb> 35 atoms in block 163
Block first atom: 5175
Blocpdb> 46 atoms in block 164
Block first atom: 5210
Blocpdb> 31 atoms in block 165
Block first atom: 5256
Blocpdb> 28 atoms in block 166
Block first atom: 5287
Blocpdb> 35 atoms in block 167
Block first atom: 5315
Blocpdb> 22 atoms in block 168
Block first atom: 5350
Blocpdb> 35 atoms in block 169
Block first atom: 5372
Blocpdb> 40 atoms in block 170
Block first atom: 5407
Blocpdb> 28 atoms in block 171
Block first atom: 5447
Blocpdb> 20 atoms in block 172
Block first atom: 5474
Blocpdb> 172 blocks.
Blocpdb> At most, 48 atoms in each of them.
Blocpdb> At least, 17 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> 3977850 matrix lines read.
Prepmat> Matrix order = 16482
Prepmat> Matrix trace = 8767420.0000
Prepmat> Last element read: 16482 16482 222.6646
Prepmat> 14879 lines saved.
Prepmat> 12694 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: 5494
RTB> Total mass = 5494.0000
RTB> Number of atoms found in matrix: 5494
RTB> Number of blocks = 172
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 458938.7443
RTB> 76044 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 = 1032
Diagstd> Nb of non-zero elements: 76044
Diagstd> Projected matrix trace = 458938.7443
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 1032 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 458938.7443
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 2.2420756 2.9239600 6.4088701 7.8985122
11.3236825 12.5301228 14.6352528 16.0628761 16.1669609
19.6807931 20.2103976 21.6132684 23.1438376 24.0788557
24.2504732 25.8848894 27.2598279 29.0276217 30.9620253
33.1542151 35.1386979 35.3585919 35.4440605 37.1421400
38.3184186 40.6009906 43.5844600 44.1736220 44.8924840
48.1828944 48.5807216 49.6736582 50.7125182 52.0728084
53.8486345 55.2283391 56.8712782 57.1839614 58.6329349
60.6746716 62.3442458 62.9985224 64.4414879 64.7473740
65.9200364 67.0918600 68.5984538 69.9651807 70.4877106
70.7141551 71.2336552 72.5368041 74.4117651 75.8795555
77.8679718 78.3738009 80.0074317 84.1200406 85.6714726
86.4855597 88.0801047 88.9403458 89.3882303 91.7132764
92.1283450 93.8862544 96.6239364 97.3372735 98.4702677
99.8942660 102.0962605 102.4178662 103.2673039 104.2990841
105.5825980 106.7567681 108.0054578 109.2487647 110.0610961
111.7083918 112.4579739 112.8356215 113.3759355 114.7715317
116.2313734 116.4145797 118.9718998 120.1952601 121.2574450
122.3586936 123.5596854 124.4303012 125.0544301 126.1825461
127.1200004 128.5093500 129.1643212 129.7695167 130.8413261
132.6309041
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034286 0.0034312 0.0034339 0.0034349 0.0034354
0.0034363 162.5999486 185.6867841 274.9071372 305.1883333
365.4173145 384.3907637 415.4276452 435.2180857 436.6258807
481.7442929 488.1830641 504.8420292 522.4117865 532.8601004
534.7556586 552.4823871 566.9657641 585.0608094 604.2406807
625.2657724 643.7068233 645.7178038 646.4977459 661.8030154
672.2008685 691.9322850 716.9041845 721.7333696 727.5822549
753.7749882 756.8804031 765.3469439 773.3086507 783.6114637
796.8611023 807.0050854 818.9205605 821.1687222 831.5073587
845.8609925 857.4197209 861.9071071 871.7221074 873.7885711
881.6658095 889.4677299 899.3990896 908.3145275 911.7000591
913.1633203 916.5114507 924.8567885 936.7335678 945.9271031
958.2409180 961.3482386 971.3157816 995.9671561 1005.1095427
1009.8737426 1019.1408073 1024.1054728 1026.6808224 1039.9474269
1042.2980252 1052.1951289 1067.4256719 1071.3586217 1077.5758249
1085.3393783 1097.2363784 1098.9631804 1103.5110839 1109.0101669
1115.8130908 1122.0003417 1128.5430519 1135.0200879 1139.2320571
1147.7258945 1151.5701732 1153.5021093 1156.2605866 1163.3552900
1170.7305871 1171.6528883 1184.4520353 1190.5261825 1195.7750477
1201.1927324 1207.0733936 1211.3185179 1214.3526389 1219.8176790
1224.3405208 1231.0130128 1234.1460661 1237.0339643 1242.1319959
1250.5977566
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 5494
Rtb_to_modes> Number of blocs = 172
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: 9.9687E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9841E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 9.9995E-10
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0005E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0014E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 2.242
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 2.924
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 6.409
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 7.899
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 11.32
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 12.53
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 14.64
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 16.06
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 16.17
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 19.68
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 20.21
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 21.61
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 23.14
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 24.08
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 24.25
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 25.88
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 27.26
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 29.03
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 30.96
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 33.15
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 35.14
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 35.36
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 35.44
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 37.14
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 38.32
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 40.60
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 43.58
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 44.17
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 44.89
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 48.18
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 48.58
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 49.67
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 50.71
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 52.07
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 53.85
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 55.23
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 56.87
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 57.18
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 58.63
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 60.67
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 62.34
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 63.00
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 64.44
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 64.75
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 65.92
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 67.09
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 68.60
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 69.97
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 70.49
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 70.71
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 71.23
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 72.54
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 74.41
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 75.88
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 77.87
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 78.37
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 80.01
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 84.12
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 85.67
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 86.49
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 88.08
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 88.94
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 89.39
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 91.71
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 92.13
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 93.89
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 96.62
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 97.34
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 98.47
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 99.89
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 102.1
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 102.4
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 103.3
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 104.3
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 105.6
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 106.8
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 108.0
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 109.2
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 110.1
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 111.7
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 112.5
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 112.8
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 113.4
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 114.8
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 116.2
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 116.4
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 119.0
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 120.2
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 121.3
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 122.4
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 123.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 124.4
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 125.1
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 126.2
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 127.1
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 128.5
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 129.2
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 129.8
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 130.8
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 132.6
Rtb_to_modes> 106 vectors, with 1032 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00004 0.99999 1.00001 0.99999
0.99999 0.99999 1.00001 1.00001 0.99999
1.00002 0.99999 1.00003 0.99998 0.99999
1.00004 0.99999 0.99995 0.99997 1.00001
1.00000 1.00001 1.00001 1.00003 0.99998
0.99998 1.00002 1.00001 0.99999 1.00000
1.00005 1.00001 0.99998 0.99999 0.99998
1.00002 1.00003 1.00002 1.00000 1.00002
0.99998 1.00002 1.00001 1.00000 1.00000
1.00002 1.00002 0.99999 1.00002 1.00002
0.99999 1.00002 1.00000 1.00000 1.00000
0.99999 1.00002 0.99998 0.99999 1.00001
0.99999 1.00002 1.00000 1.00000 1.00000
0.99996 1.00001 0.99999 1.00003 1.00000
1.00001 1.00000 0.99999 1.00002 1.00000
1.00000 1.00003 1.00002 1.00002 0.99999
1.00001 1.00002 1.00001 1.00000 0.99999
1.00004 1.00001 1.00000 1.00001 1.00001
1.00000 1.00002 0.99999 1.00001 1.00001
0.99998 1.00004 0.99999 1.00000 1.00001
1.00002
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 98892 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00000 1.00000 1.00000 1.00000 1.00000
0.99999 1.00004 0.99999 1.00001 0.99999
0.99999 0.99999 1.00001 1.00001 0.99999
1.00002 0.99999 1.00003 0.99998 0.99999
1.00004 0.99999 0.99995 0.99997 1.00001
1.00000 1.00001 1.00001 1.00003 0.99998
0.99998 1.00002 1.00001 0.99999 1.00000
1.00005 1.00001 0.99998 0.99999 0.99998
1.00002 1.00003 1.00002 1.00000 1.00002
0.99998 1.00002 1.00001 1.00000 1.00000
1.00002 1.00002 0.99999 1.00002 1.00002
0.99999 1.00002 1.00000 1.00000 1.00000
0.99999 1.00002 0.99998 0.99999 1.00001
0.99999 1.00002 1.00000 1.00000 1.00000
0.99996 1.00001 0.99999 1.00003 1.00000
1.00001 1.00000 0.99999 1.00002 1.00000
1.00000 1.00003 1.00002 1.00002 0.99999
1.00001 1.00002 1.00001 1.00000 0.99999
1.00004 1.00001 1.00000 1.00001 1.00001
1.00000 1.00002 0.99999 1.00001 1.00001
0.99998 1.00004 0.99999 1.00000 1.00001
1.00002
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> 2404230453311989143.eigenfacs
Openam> file on opening on unit 10:
2404230453311989143.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2404230453311989143.atom
Openam> file on opening on unit 11:
2404230453311989143.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 = 343
First residue number = 1
Last residue number = 343
Number of atoms found = 5494
Mean number per residue = 16.0
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9687E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9841E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9995E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0005E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0014E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 2.242
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 2.924
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 6.409
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 7.899
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 11.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 12.53
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 14.64
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 16.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 16.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 19.68
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 20.21
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 21.61
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 23.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 24.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 24.25
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 25.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 27.26
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 29.03
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 30.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 33.15
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 35.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 35.36
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 35.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 37.14
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 38.32
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 40.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 43.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 44.17
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 44.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 48.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 48.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 49.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 50.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 52.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 53.85
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 55.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 56.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 57.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 58.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 60.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 62.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 63.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 64.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 64.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 65.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 67.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 68.60
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 69.97
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 70.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 70.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 71.23
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 72.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 74.41
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 75.88
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 77.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 78.37
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 80.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 84.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 85.67
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 86.49
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 88.08
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 88.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 89.39
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 91.71
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 92.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 93.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 96.62
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 97.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 98.47
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 99.89
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 102.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 102.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 103.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 104.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 105.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 106.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 108.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 109.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 110.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 111.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 112.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 112.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 113.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 114.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 116.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 116.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 119.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 120.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 121.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 122.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 123.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 124.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 125.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 126.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 127.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 128.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 129.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 129.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 130.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 132.6
Bfactors> 106 vectors, 16482 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 : 2.242000
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> = 0.007 +/- 0.01
Bfactors> = 0.000 +/- 0.00
Bfactors> Shiftng-fct= -0.007
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 2404230453311989143 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=0
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=100
2404230453311989143.eigenfacs
2404230453311989143.atom
making animated gifs
11 models are in 2404230453311989143.7.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 2404230453311989143.7.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 2404230453311989143.7.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 2404230453311989143 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=0
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=100
2404230453311989143.eigenfacs
2404230453311989143.atom
making animated gifs
11 models are in 2404230453311989143.8.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 2404230453311989143.8.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 2404230453311989143.8.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 2404230453311989143 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=0
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=100
2404230453311989143.eigenfacs
2404230453311989143.atom
making animated gifs
11 models are in 2404230453311989143.9.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 2404230453311989143.9.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 2404230453311989143.9.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 2404230453311989143 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=0
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=100
2404230453311989143.eigenfacs
2404230453311989143.atom
making animated gifs
11 models are in 2404230453311989143.10.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 2404230453311989143.10.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 2404230453311989143.10.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 2404230453311989143 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=-20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=0
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=20
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=40
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=60
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=80
2404230453311989143.eigenfacs
2404230453311989143.atom
calculating perturbed structure for DQ=100
2404230453311989143.eigenfacs
2404230453311989143.atom
making animated gifs
11 models are in 2404230453311989143.11.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 2404230453311989143.11.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 2404230453311989143.11.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
2404230453311989143.10.pdb
2404230453311989143.11.pdb
2404230453311989143.7.pdb
2404230453311989143.8.pdb
2404230453311989143.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m25.928s
user 0m25.719s
sys 0m0.124s
../../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: 2404230453311989143.Chkmod.res: No such file or directory
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
pstopnm: Writing ppmraw format
If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand.
It was developed
by Karsten Suhre.
Between 2003 and 2014, it was hosted by IGS (Marseille).
Last modification: April 25th, 2023.
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