*** SODing ***
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 = 2403202327104068355.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 2403202327104068355.atom to be opened.
Openam> File opened: 2403202327104068355.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 = 153
First residue number = 1
Last residue number = 153
Number of atoms found = 2191
Mean number per residue = 14.3
Pdbmat> Coordinate statistics:
= 18.162073 +/- 8.894658 From: -4.318000 To: 37.425000
= -11.001670 +/- 8.782170 From: -34.909000 To: 14.384000
= 21.463504 +/- 6.861032 From: 0.393000 To: 37.861000
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 7.2087 % Filled.
Pdbmat> 1557463 non-zero elements.
Pdbmat> 171618 atom-atom interactions.
Pdbmat> Number per atom= 156.66 +/- 52.30
Maximum number = 253
Minimum number = 18
Pdbmat> Matrix trace = 3.432360E+06
Pdbmat> Larger element = 882.112
Pdbmat> 0 elements larger than +/- 1.0E+10
Pdbmat> Normal end.
automatic determination of NRBL (NRBL = nresidues/200 + 1)
153 non-zero elements, NRBL set to 1
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 = 2403202327104068355.atom
Eigenvector OUTPut file = matrix.eigenrtb
Nb of VECTors required = 106
EigeNVALues chosen = LOWE
Type of SUBStructuring = NONE
Nb of residues per BLOck = 1
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 2403202327104068355.atom to be opened.
Openam> file on opening on unit 11:
2403202327104068355.atom
Blocpdb> Coordinate file in PDB format.
Blocpdb> 2191 atoms picked in pdb file.
Blocpdb> All masses set to unity.
Blocpdb> Coordinate file is rewritten.
Blocpdb> Substructuring:
Blocpdb> 1 residue(s) per block.
Blocpdb> 153 residues.
Blocpdb> 12 atoms in block 1
Block first atom: 1
Blocpdb> 14 atoms in block 2
Block first atom: 13
Blocpdb> 22 atoms in block 3
Block first atom: 27
Blocpdb> 10 atoms in block 4
Block first atom: 49
Blocpdb> 16 atoms in block 5
Block first atom: 59
Blocpdb> 11 atoms in block 6
Block first atom: 75
Blocpdb> 16 atoms in block 7
Block first atom: 86
Blocpdb> 19 atoms in block 8
Block first atom: 102
Blocpdb> 22 atoms in block 9
Block first atom: 121
Blocpdb> 7 atoms in block 10
Block first atom: 143
Blocpdb> 12 atoms in block 11
Block first atom: 150
Blocpdb> 7 atoms in block 12
Block first atom: 162
Blocpdb> 14 atoms in block 13
Block first atom: 169
Blocpdb> 16 atoms in block 14
Block first atom: 183
Blocpdb> 17 atoms in block 15
Block first atom: 199
Blocpdb> 7 atoms in block 16
Block first atom: 216
Blocpdb> 19 atoms in block 17
Block first atom: 223
Blocpdb> 19 atoms in block 18
Block first atom: 242
Blocpdb> 14 atoms in block 19
Block first atom: 261
Blocpdb> 20 atoms in block 20
Block first atom: 275
Blocpdb> 15 atoms in block 21
Block first atom: 295
Blocpdb> 17 atoms in block 22
Block first atom: 310
Blocpdb> 22 atoms in block 23
Block first atom: 327
Blocpdb> 15 atoms in block 24
Block first atom: 349
Blocpdb> 11 atoms in block 25
Block first atom: 364
Blocpdb> 14 atoms in block 26
Block first atom: 375
Blocpdb> 7 atoms in block 27
Block first atom: 389
Blocpdb> 14 atoms in block 28
Block first atom: 396
Blocpdb> 16 atoms in block 29
Block first atom: 410
Blocpdb> 22 atoms in block 30
Block first atom: 426
Blocpdb> 16 atoms in block 31
Block first atom: 448
Blocpdb> 24 atoms in block 32
Block first atom: 464
Blocpdb> 7 atoms in block 33
Block first atom: 488
Blocpdb> 11 atoms in block 34
Block first atom: 495
Blocpdb> 19 atoms in block 35
Block first atom: 506
Blocpdb> 22 atoms in block 36
Block first atom: 525
Blocpdb> 7 atoms in block 37
Block first atom: 547
Blocpdb> 19 atoms in block 38
Block first atom: 554
Blocpdb> 14 atoms in block 39
Block first atom: 573
Blocpdb> 15 atoms in block 40
Block first atom: 587
Blocpdb> 7 atoms in block 41
Block first atom: 602
Blocpdb> 19 atoms in block 42
Block first atom: 609
Blocpdb> 18 atoms in block 43
Block first atom: 628
Blocpdb> 7 atoms in block 44
Block first atom: 646
Blocpdb> 20 atoms in block 45
Block first atom: 653
Blocpdb> 18 atoms in block 46
Block first atom: 673
Blocpdb> 16 atoms in block 47
Block first atom: 691
Blocpdb> 17 atoms in block 48
Block first atom: 707
Blocpdb> 15 atoms in block 49
Block first atom: 724
Blocpdb> 20 atoms in block 50
Block first atom: 739
Blocpdb> 7 atoms in block 51
Block first atom: 759
Blocpdb> 12 atoms in block 52
Block first atom: 766
Blocpdb> 14 atoms in block 53
Block first atom: 778
Blocpdb> 14 atoms in block 54
Block first atom: 792
Blocpdb> 10 atoms in block 55
Block first atom: 806
Blocpdb> 7 atoms in block 56
Block first atom: 816
Blocpdb> 11 atoms in block 57
Block first atom: 823
Blocpdb> 14 atoms in block 58
Block first atom: 834
Blocpdb> 11 atoms in block 59
Block first atom: 848
Blocpdb> 10 atoms in block 60
Block first atom: 859
Blocpdb> 7 atoms in block 61
Block first atom: 869
Blocpdb> 14 atoms in block 62
Block first atom: 876
Blocpdb> 17 atoms in block 63
Block first atom: 890
Blocpdb> 20 atoms in block 64
Block first atom: 907
Blocpdb> 14 atoms in block 65
Block first atom: 927
Blocpdb> 14 atoms in block 66
Block first atom: 941
Blocpdb> 19 atoms in block 67
Block first atom: 955
Blocpdb> 11 atoms in block 68
Block first atom: 974
Blocpdb> 24 atoms in block 69
Block first atom: 985
Blocpdb> 22 atoms in block 70
Block first atom: 1009
Blocpdb> 17 atoms in block 71
Block first atom: 1031
Blocpdb> 7 atoms in block 72
Block first atom: 1048
Blocpdb> 7 atoms in block 73
Block first atom: 1055
Blocpdb> 14 atoms in block 74
Block first atom: 1062
Blocpdb> 22 atoms in block 75
Block first atom: 1076
Blocpdb> 12 atoms in block 76
Block first atom: 1098
Blocpdb> 15 atoms in block 77
Block first atom: 1110
Blocpdb> 15 atoms in block 78
Block first atom: 1125
Blocpdb> 24 atoms in block 79
Block first atom: 1140
Blocpdb> 17 atoms in block 80
Block first atom: 1164
Blocpdb> 16 atoms in block 81
Block first atom: 1181
Blocpdb> 7 atoms in block 82
Block first atom: 1197
Blocpdb> 12 atoms in block 83
Block first atom: 1204
Blocpdb> 19 atoms in block 84
Block first atom: 1216
Blocpdb> 7 atoms in block 85
Block first atom: 1235
Blocpdb> 14 atoms in block 86
Block first atom: 1242
Blocpdb> 16 atoms in block 87
Block first atom: 1256
Blocpdb> 14 atoms in block 88
Block first atom: 1272
Blocpdb> 10 atoms in block 89
Block first atom: 1286
Blocpdb> 12 atoms in block 90
Block first atom: 1296
Blocpdb> 22 atoms in block 91
Block first atom: 1308
Blocpdb> 12 atoms in block 92
Block first atom: 1330
Blocpdb> 7 atoms in block 93
Block first atom: 1342
Blocpdb> 16 atoms in block 94
Block first atom: 1349
Blocpdb> 10 atoms in block 95
Block first atom: 1365
Blocpdb> 12 atoms in block 96
Block first atom: 1375
Blocpdb> 16 atoms in block 97
Block first atom: 1387
Blocpdb> 11 atoms in block 98
Block first atom: 1403
Blocpdb> 19 atoms in block 99
Block first atom: 1414
Blocpdb> 15 atoms in block 100
Block first atom: 1433
Blocpdb> 12 atoms in block 101
Block first atom: 1448
Blocpdb> 11 atoms in block 102
Block first atom: 1460
Blocpdb> 16 atoms in block 103
Block first atom: 1471
Blocpdb> 19 atoms in block 104
Block first atom: 1487
Blocpdb> 11 atoms in block 105
Block first atom: 1506
Blocpdb> 19 atoms in block 106
Block first atom: 1517
Blocpdb> 11 atoms in block 107
Block first atom: 1536
Blocpdb> 7 atoms in block 108
Block first atom: 1547
Blocpdb> 12 atoms in block 109
Block first atom: 1554
Blocpdb> 17 atoms in block 110
Block first atom: 1566
Blocpdb> 11 atoms in block 111
Block first atom: 1583
Blocpdb> 19 atoms in block 112
Block first atom: 1594
Blocpdb> 19 atoms in block 113
Block first atom: 1613
Blocpdb> 7 atoms in block 114
Block first atom: 1632
Blocpdb> 24 atoms in block 115
Block first atom: 1639
Blocpdb> 14 atoms in block 116
Block first atom: 1663
Blocpdb> 19 atoms in block 117
Block first atom: 1677
Blocpdb> 16 atoms in block 118
Block first atom: 1696
Blocpdb> 16 atoms in block 119
Block first atom: 1712
Blocpdb> 17 atoms in block 120
Block first atom: 1728
Blocpdb> 15 atoms in block 121
Block first atom: 1745
Blocpdb> 22 atoms in block 122
Block first atom: 1760
Blocpdb> 10 atoms in block 123
Block first atom: 1782
Blocpdb> 12 atoms in block 124
Block first atom: 1792
Blocpdb> 12 atoms in block 125
Block first atom: 1804
Blocpdb> 19 atoms in block 126
Block first atom: 1816
Blocpdb> 7 atoms in block 127
Block first atom: 1835
Blocpdb> 22 atoms in block 128
Block first atom: 1842
Blocpdb> 7 atoms in block 129
Block first atom: 1864
Blocpdb> 7 atoms in block 130
Block first atom: 1871
Blocpdb> 14 atoms in block 131
Block first atom: 1878
Blocpdb> 15 atoms in block 132
Block first atom: 1892
Blocpdb> 15 atoms in block 133
Block first atom: 1907
Blocpdb> 11 atoms in block 134
Block first atom: 1922
Blocpdb> 14 atoms in block 135
Block first atom: 1933
Blocpdb> 22 atoms in block 136
Block first atom: 1947
Blocpdb> 14 atoms in block 137
Block first atom: 1969
Blocpdb> 7 atoms in block 138
Block first atom: 1983
Blocpdb> 14 atoms in block 139
Block first atom: 1990
Blocpdb> 10 atoms in block 140
Block first atom: 2004
Blocpdb> 7 atoms in block 141
Block first atom: 2014
Blocpdb> 11 atoms in block 142
Block first atom: 2021
Blocpdb> 24 atoms in block 143
Block first atom: 2032
Blocpdb> 19 atoms in block 144
Block first atom: 2056
Blocpdb> 10 atoms in block 145
Block first atom: 2075
Blocpdb> 11 atoms in block 146
Block first atom: 2085
Blocpdb> 7 atoms in block 147
Block first atom: 2096
Blocpdb> 16 atoms in block 148
Block first atom: 2103
Blocpdb> 19 atoms in block 149
Block first atom: 2119
Blocpdb> 7 atoms in block 150
Block first atom: 2138
Blocpdb> 19 atoms in block 151
Block first atom: 2145
Blocpdb> 10 atoms in block 152
Block first atom: 2164
Blocpdb> 18 atoms in block 153
Block first atom: 2173
Blocpdb> 153 blocks.
Blocpdb> At most, 24 atoms in each of them.
Blocpdb> At least, 7 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> 1557616 matrix lines read.
Prepmat> Matrix order = 6573
Prepmat> Matrix trace = 3432360.0000
Prepmat> Last element read: 6573 6573 16.9225
Prepmat> 11782 lines saved.
Prepmat> 9414 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: 2191
RTB> Total mass = 2191.0000
RTB> Number of atoms found in matrix: 2191
RTB> Number of blocks = 153
RTB> Projection begins.
RTB> Projected matrix is being saved.
RTB> Projected matrix trace = 439812.1969
RTB> 82917 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 = 918
Diagstd> Nb of non-zero elements: 82917
Diagstd> Projected matrix trace = 439812.1969
Openam> file on opening on unit 11:
diagrtb_work.eigenfacs
Diagstd> Diagonalization.
Diagstd> 918 eigenvectors are computed.
Diagstd> 106 of them to be saved.
Diagstd> Sum of eigenvalues = 439812.1969
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 12.7233888 14.1204744 16.0679537 17.1274857
21.0616313 22.5690537 26.0413575 26.9411850 30.9439710
34.8368428 36.1179687 39.0667397 43.4446801 44.0522426
45.7592431 48.1200510 49.5938904 54.0593272 56.2211712
57.8722277 58.6332091 60.4556304 62.1811207 64.9551638
67.0948381 68.7394142 73.0051010 74.9233145 75.4399503
78.0425632 80.5750274 82.7597780 85.0923288 87.1622173
88.5360801 91.3399551 93.0002840 95.8090275 98.7531731
101.9933785 103.1556878 103.9617723 104.5207237 106.3114035
109.0432479 110.7466865 111.7022804 113.2945576 115.5909097
117.6473241 118.8347273 122.1727347 123.7410874 126.1679443
127.7968745 130.2540278 131.1480124 133.3719661 134.3514933
136.4082806 137.4227053 137.6076040 140.0901247 141.6344598
143.0873888 143.5936979 144.4595215 145.3540267 146.5481704
149.5804362 151.6236610 153.2187933 154.5575264 157.6628981
158.5757030 160.0941176 161.8046263 162.7808660 165.6904397
165.8547257 168.3385768 169.2580686 170.6867240 171.1607610
172.2548048 173.9771007 175.4117261 176.3784290 177.9822689
179.2977728 180.6416780 181.4243651 183.2132089 185.6209078
186.8718023 188.9877976 190.1347096 192.0701260 193.8798068
194.6615698
Diagstd> Frequencies (cm-1, if the input matrix is a hessian in CHARMM units):
0.0034323 0.0034338 0.0034343 0.0034352 0.0034353
0.0034354 387.3438635 408.0561463 435.2868689 449.4093322
498.3578262 515.8838772 554.1496843 563.6423634 604.0644854
640.9360130 652.6148311 678.7328434 715.7536679 720.7411051
734.5725515 753.2832657 764.7321865 798.4185133 814.2264843
826.0957357 831.5093028 844.3327930 856.2972573 875.1895460
889.4874706 900.3226862 927.8374192 939.9478765 943.1830273
959.3145748 974.7550888 987.8816965 1001.7064840 1013.8166401
1021.7753594 1037.8287019 1047.2187698 1062.9149030 1079.1226541
1096.6833984 1102.9145594 1107.2154000 1110.1878866 1119.6575323
1133.9519955 1142.7747894 1147.6944989 1155.8455472 1167.5006234
1177.8400218 1183.7690124 1200.2796084 1207.9591402 1219.7470988
1227.5958075 1239.3411248 1243.5868951 1254.0866852 1258.6834713
1268.2814710 1272.9886375 1273.8447359 1285.2838223 1292.3488046
1298.9605435 1301.2566745 1305.1738572 1309.2084932 1314.5753384
1328.1058141 1337.1458153 1344.1610267 1350.0204883 1363.5153545
1367.4567613 1373.9880882 1381.3087017 1385.4694616 1397.7966828
1398.4894854 1408.9225036 1412.7651419 1418.7149713 1420.6836572
1425.2168644 1432.3241843 1438.2175744 1442.1751741 1448.7173114
1454.0613399 1459.5005390 1462.6589949 1469.8522140 1479.4787321
1484.4554463 1492.8362152 1497.3591581 1504.9608103 1512.0340432
1515.0793918
Diagstd> Normal end.
Rtb_to_modes> Entering in.
Rtb_to_modes> Number of atoms in temporary block-file = 2191
Rtb_to_modes> Number of blocs = 153
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: 9.9901E-10
Rdmodfacs> Eigenvector number: 2
Rdmodfacs> Corresponding eigenvalue: 9.9992E-10
Rdmodfacs> Eigenvector number: 3
Rdmodfacs> Corresponding eigenvalue: 1.0002E-09
Rdmodfacs> Eigenvector number: 4
Rdmodfacs> Corresponding eigenvalue: 1.0007E-09
Rdmodfacs> Eigenvector number: 5
Rdmodfacs> Corresponding eigenvalue: 1.0008E-09
Rdmodfacs> Eigenvector number: 6
Rdmodfacs> Corresponding eigenvalue: 1.0009E-09
Rdmodfacs> Eigenvector number: 7
Rdmodfacs> Corresponding eigenvalue: 12.72
Rdmodfacs> Eigenvector number: 8
Rdmodfacs> Corresponding eigenvalue: 14.12
Rdmodfacs> Eigenvector number: 9
Rdmodfacs> Corresponding eigenvalue: 16.07
Rdmodfacs> Eigenvector number: 10
Rdmodfacs> Corresponding eigenvalue: 17.13
Rdmodfacs> Eigenvector number: 11
Rdmodfacs> Corresponding eigenvalue: 21.06
Rdmodfacs> Eigenvector number: 12
Rdmodfacs> Corresponding eigenvalue: 22.57
Rdmodfacs> Eigenvector number: 13
Rdmodfacs> Corresponding eigenvalue: 26.04
Rdmodfacs> Eigenvector number: 14
Rdmodfacs> Corresponding eigenvalue: 26.94
Rdmodfacs> Eigenvector number: 15
Rdmodfacs> Corresponding eigenvalue: 30.94
Rdmodfacs> Eigenvector number: 16
Rdmodfacs> Corresponding eigenvalue: 34.84
Rdmodfacs> Eigenvector number: 17
Rdmodfacs> Corresponding eigenvalue: 36.12
Rdmodfacs> Eigenvector number: 18
Rdmodfacs> Corresponding eigenvalue: 39.07
Rdmodfacs> Eigenvector number: 19
Rdmodfacs> Corresponding eigenvalue: 43.44
Rdmodfacs> Eigenvector number: 20
Rdmodfacs> Corresponding eigenvalue: 44.05
Rdmodfacs> Eigenvector number: 21
Rdmodfacs> Corresponding eigenvalue: 45.76
Rdmodfacs> Eigenvector number: 22
Rdmodfacs> Corresponding eigenvalue: 48.12
Rdmodfacs> Eigenvector number: 23
Rdmodfacs> Corresponding eigenvalue: 49.59
Rdmodfacs> Eigenvector number: 24
Rdmodfacs> Corresponding eigenvalue: 54.06
Rdmodfacs> Eigenvector number: 25
Rdmodfacs> Corresponding eigenvalue: 56.22
Rdmodfacs> Eigenvector number: 26
Rdmodfacs> Corresponding eigenvalue: 57.87
Rdmodfacs> Eigenvector number: 27
Rdmodfacs> Corresponding eigenvalue: 58.63
Rdmodfacs> Eigenvector number: 28
Rdmodfacs> Corresponding eigenvalue: 60.46
Rdmodfacs> Eigenvector number: 29
Rdmodfacs> Corresponding eigenvalue: 62.18
Rdmodfacs> Eigenvector number: 30
Rdmodfacs> Corresponding eigenvalue: 64.96
Rdmodfacs> Eigenvector number: 31
Rdmodfacs> Corresponding eigenvalue: 67.09
Rdmodfacs> Eigenvector number: 32
Rdmodfacs> Corresponding eigenvalue: 68.74
Rdmodfacs> Eigenvector number: 33
Rdmodfacs> Corresponding eigenvalue: 73.01
Rdmodfacs> Eigenvector number: 34
Rdmodfacs> Corresponding eigenvalue: 74.92
Rdmodfacs> Eigenvector number: 35
Rdmodfacs> Corresponding eigenvalue: 75.44
Rdmodfacs> Eigenvector number: 36
Rdmodfacs> Corresponding eigenvalue: 78.04
Rdmodfacs> Eigenvector number: 37
Rdmodfacs> Corresponding eigenvalue: 80.58
Rdmodfacs> Eigenvector number: 38
Rdmodfacs> Corresponding eigenvalue: 82.76
Rdmodfacs> Eigenvector number: 39
Rdmodfacs> Corresponding eigenvalue: 85.09
Rdmodfacs> Eigenvector number: 40
Rdmodfacs> Corresponding eigenvalue: 87.16
Rdmodfacs> Eigenvector number: 41
Rdmodfacs> Corresponding eigenvalue: 88.54
Rdmodfacs> Eigenvector number: 42
Rdmodfacs> Corresponding eigenvalue: 91.34
Rdmodfacs> Eigenvector number: 43
Rdmodfacs> Corresponding eigenvalue: 93.00
Rdmodfacs> Eigenvector number: 44
Rdmodfacs> Corresponding eigenvalue: 95.81
Rdmodfacs> Eigenvector number: 45
Rdmodfacs> Corresponding eigenvalue: 98.75
Rdmodfacs> Eigenvector number: 46
Rdmodfacs> Corresponding eigenvalue: 102.0
Rdmodfacs> Eigenvector number: 47
Rdmodfacs> Corresponding eigenvalue: 103.2
Rdmodfacs> Eigenvector number: 48
Rdmodfacs> Corresponding eigenvalue: 104.0
Rdmodfacs> Eigenvector number: 49
Rdmodfacs> Corresponding eigenvalue: 104.5
Rdmodfacs> Eigenvector number: 50
Rdmodfacs> Corresponding eigenvalue: 106.3
Rdmodfacs> Eigenvector number: 51
Rdmodfacs> Corresponding eigenvalue: 109.0
Rdmodfacs> Eigenvector number: 52
Rdmodfacs> Corresponding eigenvalue: 110.7
Rdmodfacs> Eigenvector number: 53
Rdmodfacs> Corresponding eigenvalue: 111.7
Rdmodfacs> Eigenvector number: 54
Rdmodfacs> Corresponding eigenvalue: 113.3
Rdmodfacs> Eigenvector number: 55
Rdmodfacs> Corresponding eigenvalue: 115.6
Rdmodfacs> Eigenvector number: 56
Rdmodfacs> Corresponding eigenvalue: 117.6
Rdmodfacs> Eigenvector number: 57
Rdmodfacs> Corresponding eigenvalue: 118.8
Rdmodfacs> Eigenvector number: 58
Rdmodfacs> Corresponding eigenvalue: 122.2
Rdmodfacs> Eigenvector number: 59
Rdmodfacs> Corresponding eigenvalue: 123.7
Rdmodfacs> Eigenvector number: 60
Rdmodfacs> Corresponding eigenvalue: 126.2
Rdmodfacs> Eigenvector number: 61
Rdmodfacs> Corresponding eigenvalue: 127.8
Rdmodfacs> Eigenvector number: 62
Rdmodfacs> Corresponding eigenvalue: 130.3
Rdmodfacs> Eigenvector number: 63
Rdmodfacs> Corresponding eigenvalue: 131.1
Rdmodfacs> Eigenvector number: 64
Rdmodfacs> Corresponding eigenvalue: 133.4
Rdmodfacs> Eigenvector number: 65
Rdmodfacs> Corresponding eigenvalue: 134.4
Rdmodfacs> Eigenvector number: 66
Rdmodfacs> Corresponding eigenvalue: 136.4
Rdmodfacs> Eigenvector number: 67
Rdmodfacs> Corresponding eigenvalue: 137.4
Rdmodfacs> Eigenvector number: 68
Rdmodfacs> Corresponding eigenvalue: 137.6
Rdmodfacs> Eigenvector number: 69
Rdmodfacs> Corresponding eigenvalue: 140.1
Rdmodfacs> Eigenvector number: 70
Rdmodfacs> Corresponding eigenvalue: 141.6
Rdmodfacs> Eigenvector number: 71
Rdmodfacs> Corresponding eigenvalue: 143.1
Rdmodfacs> Eigenvector number: 72
Rdmodfacs> Corresponding eigenvalue: 143.6
Rdmodfacs> Eigenvector number: 73
Rdmodfacs> Corresponding eigenvalue: 144.5
Rdmodfacs> Eigenvector number: 74
Rdmodfacs> Corresponding eigenvalue: 145.4
Rdmodfacs> Eigenvector number: 75
Rdmodfacs> Corresponding eigenvalue: 146.5
Rdmodfacs> Eigenvector number: 76
Rdmodfacs> Corresponding eigenvalue: 149.6
Rdmodfacs> Eigenvector number: 77
Rdmodfacs> Corresponding eigenvalue: 151.6
Rdmodfacs> Eigenvector number: 78
Rdmodfacs> Corresponding eigenvalue: 153.2
Rdmodfacs> Eigenvector number: 79
Rdmodfacs> Corresponding eigenvalue: 154.6
Rdmodfacs> Eigenvector number: 80
Rdmodfacs> Corresponding eigenvalue: 157.7
Rdmodfacs> Eigenvector number: 81
Rdmodfacs> Corresponding eigenvalue: 158.6
Rdmodfacs> Eigenvector number: 82
Rdmodfacs> Corresponding eigenvalue: 160.1
Rdmodfacs> Eigenvector number: 83
Rdmodfacs> Corresponding eigenvalue: 161.8
Rdmodfacs> Eigenvector number: 84
Rdmodfacs> Corresponding eigenvalue: 162.8
Rdmodfacs> Eigenvector number: 85
Rdmodfacs> Corresponding eigenvalue: 165.7
Rdmodfacs> Eigenvector number: 86
Rdmodfacs> Corresponding eigenvalue: 165.9
Rdmodfacs> Eigenvector number: 87
Rdmodfacs> Corresponding eigenvalue: 168.3
Rdmodfacs> Eigenvector number: 88
Rdmodfacs> Corresponding eigenvalue: 169.3
Rdmodfacs> Eigenvector number: 89
Rdmodfacs> Corresponding eigenvalue: 170.7
Rdmodfacs> Eigenvector number: 90
Rdmodfacs> Corresponding eigenvalue: 171.2
Rdmodfacs> Eigenvector number: 91
Rdmodfacs> Corresponding eigenvalue: 172.3
Rdmodfacs> Eigenvector number: 92
Rdmodfacs> Corresponding eigenvalue: 174.0
Rdmodfacs> Eigenvector number: 93
Rdmodfacs> Corresponding eigenvalue: 175.4
Rdmodfacs> Eigenvector number: 94
Rdmodfacs> Corresponding eigenvalue: 176.4
Rdmodfacs> Eigenvector number: 95
Rdmodfacs> Corresponding eigenvalue: 178.0
Rdmodfacs> Eigenvector number: 96
Rdmodfacs> Corresponding eigenvalue: 179.3
Rdmodfacs> Eigenvector number: 97
Rdmodfacs> Corresponding eigenvalue: 180.6
Rdmodfacs> Eigenvector number: 98
Rdmodfacs> Corresponding eigenvalue: 181.4
Rdmodfacs> Eigenvector number: 99
Rdmodfacs> Corresponding eigenvalue: 183.2
Rdmodfacs> Eigenvector number: 100
Rdmodfacs> Corresponding eigenvalue: 185.6
Rdmodfacs> Eigenvector number: 101
Rdmodfacs> Corresponding eigenvalue: 186.9
Rdmodfacs> Eigenvector number: 102
Rdmodfacs> Corresponding eigenvalue: 189.0
Rdmodfacs> Eigenvector number: 103
Rdmodfacs> Corresponding eigenvalue: 190.1
Rdmodfacs> Eigenvector number: 104
Rdmodfacs> Corresponding eigenvalue: 192.1
Rdmodfacs> Eigenvector number: 105
Rdmodfacs> Corresponding eigenvalue: 193.9
Rdmodfacs> Eigenvector number: 106
Rdmodfacs> Corresponding eigenvalue: 194.7
Rtb_to_modes> 106 vectors, with 918 coordinates in vector file.
Norm of eigenvectors in projected coordinates (one expected):
1.00001 1.00000 1.00001 1.00001 1.00002
1.00001 1.00000 0.99996 1.00003 0.99999
1.00001 1.00004 1.00000 1.00000 1.00001
0.99996 0.99995 0.99996 1.00001 0.99996
1.00001 1.00002 0.99999 1.00000 1.00000
1.00000 1.00002 1.00000 0.99998 1.00001
1.00001 1.00004 1.00001 1.00000 0.99996
0.99999 1.00000 0.99999 0.99998 0.99998
1.00002 0.99999 1.00001 1.00002 0.99995
0.99998 0.99998 1.00002 0.99998 0.99999
0.99998 1.00000 0.99997 0.99998 0.99998
1.00000 0.99999 1.00000 0.99996 1.00000
0.99998 1.00001 0.99997 1.00000 1.00001
0.99998 1.00002 1.00000 1.00000 1.00003
1.00001 1.00001 1.00003 1.00000 1.00002
1.00000 1.00002 1.00000 0.99997 1.00003
1.00002 1.00000 0.99999 1.00002 0.99998
0.99997 1.00002 1.00003 0.99998 1.00003
0.99999 1.00000 1.00003 1.00001 0.99998
1.00004 1.00000 1.00002 1.00002 1.00000
1.00000 1.00003 1.00000 0.99999 1.00000
1.00001
Rtb_to_modes> RTB block-file is being read.
Rtb_to_modes> 39438 lines found in RTB file.
Norm of eigenvectors in cartesian coordinates (one expected):
1.00001 1.00000 1.00001 1.00001 1.00002
1.00001 1.00000 0.99996 1.00003 0.99999
1.00001 1.00004 1.00000 1.00000 1.00001
0.99996 0.99995 0.99996 1.00001 0.99996
1.00001 1.00002 0.99999 1.00000 1.00000
1.00000 1.00002 1.00000 0.99998 1.00001
1.00001 1.00004 1.00001 1.00000 0.99996
0.99999 1.00000 0.99999 0.99998 0.99998
1.00002 0.99999 1.00001 1.00002 0.99995
0.99998 0.99998 1.00002 0.99998 0.99999
0.99998 1.00000 0.99997 0.99998 0.99998
1.00000 0.99999 1.00000 0.99996 1.00000
0.99998 1.00001 0.99997 1.00000 1.00001
0.99998 1.00002 1.00000 1.00000 1.00003
1.00001 1.00001 1.00003 1.00000 1.00002
1.00000 1.00002 1.00000 0.99997 1.00003
1.00002 1.00000 0.99999 1.00002 0.99998
0.99997 1.00002 1.00003 0.99998 1.00003
0.99999 1.00000 1.00003 1.00001 0.99998
1.00004 1.00000 1.00002 1.00002 1.00000
1.00000 1.00003 1.00000 0.99999 1.00000
1.00001
Orthogonality of first eigenvectors (zero expected):
Vector 2:-0.000
Vector 3:-0.000 0.000
Vector 4:-0.000-0.000-0.000
Vector 5:-0.000 0.000-0.000-0.000
Vector 6: 0.000-0.000-0.000 0.000 0.000
Vector 7:-0.000 0.000-0.000 0.000-0.000 0.000
Vector 8: 0.000 0.000-0.000 0.000-0.000 0.000-0.000
Vector 9: 0.000 0.000 0.000 0.000 0.000 0.000 0.000-0.000
Vector 10: 0.000 0.000 0.000 0.000 0.000 0.000-0.000 0.000 0.000
Rtb_to_modes> 106 eigenvectors saved.
Rtb_to_modes> Normal end.
Diagrtb> Normal end.
B-factor analysis
Bfactors> Version 1.22, Bordeaux.
Getnam> Eigenvector filename ?
Getnam> 2403202327104068355.eigenfacs
Openam> file on opening on unit 10:
2403202327104068355.eigenfacs
Getnam> Corresponding pdb filename ?
Getnam> 2403202327104068355.atom
Openam> file on opening on unit 11:
2403202327104068355.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 = 153
First residue number = 1
Last residue number = 153
Number of atoms found = 2191
Mean number per residue = 14.3
Rdmodfacs> Old Blzpack file format detected.
Rdmodfacs> Numero du vecteur CERFACS en lecture: 1
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9901E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 2
Rdmodfacs> Valeur propre du vecteur en lecture: 9.9992E-10
Rdmodfacs> Numero du vecteur CERFACS en lecture: 3
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0002E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 4
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0007E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 5
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0008E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 6
Rdmodfacs> Valeur propre du vecteur en lecture: 1.0009E-09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 7
Rdmodfacs> Valeur propre du vecteur en lecture: 12.72
Rdmodfacs> Numero du vecteur CERFACS en lecture: 8
Rdmodfacs> Valeur propre du vecteur en lecture: 14.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 9
Rdmodfacs> Valeur propre du vecteur en lecture: 16.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 10
Rdmodfacs> Valeur propre du vecteur en lecture: 17.13
Rdmodfacs> Numero du vecteur CERFACS en lecture: 11
Rdmodfacs> Valeur propre du vecteur en lecture: 21.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 12
Rdmodfacs> Valeur propre du vecteur en lecture: 22.57
Rdmodfacs> Numero du vecteur CERFACS en lecture: 13
Rdmodfacs> Valeur propre du vecteur en lecture: 26.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 14
Rdmodfacs> Valeur propre du vecteur en lecture: 26.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 15
Rdmodfacs> Valeur propre du vecteur en lecture: 30.94
Rdmodfacs> Numero du vecteur CERFACS en lecture: 16
Rdmodfacs> Valeur propre du vecteur en lecture: 34.84
Rdmodfacs> Numero du vecteur CERFACS en lecture: 17
Rdmodfacs> Valeur propre du vecteur en lecture: 36.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 18
Rdmodfacs> Valeur propre du vecteur en lecture: 39.07
Rdmodfacs> Numero du vecteur CERFACS en lecture: 19
Rdmodfacs> Valeur propre du vecteur en lecture: 43.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 20
Rdmodfacs> Valeur propre du vecteur en lecture: 44.05
Rdmodfacs> Numero du vecteur CERFACS en lecture: 21
Rdmodfacs> Valeur propre du vecteur en lecture: 45.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 22
Rdmodfacs> Valeur propre du vecteur en lecture: 48.12
Rdmodfacs> Numero du vecteur CERFACS en lecture: 23
Rdmodfacs> Valeur propre du vecteur en lecture: 49.59
Rdmodfacs> Numero du vecteur CERFACS en lecture: 24
Rdmodfacs> Valeur propre du vecteur en lecture: 54.06
Rdmodfacs> Numero du vecteur CERFACS en lecture: 25
Rdmodfacs> Valeur propre du vecteur en lecture: 56.22
Rdmodfacs> Numero du vecteur CERFACS en lecture: 26
Rdmodfacs> Valeur propre du vecteur en lecture: 57.87
Rdmodfacs> Numero du vecteur CERFACS en lecture: 27
Rdmodfacs> Valeur propre du vecteur en lecture: 58.63
Rdmodfacs> Numero du vecteur CERFACS en lecture: 28
Rdmodfacs> Valeur propre du vecteur en lecture: 60.46
Rdmodfacs> Numero du vecteur CERFACS en lecture: 29
Rdmodfacs> Valeur propre du vecteur en lecture: 62.18
Rdmodfacs> Numero du vecteur CERFACS en lecture: 30
Rdmodfacs> Valeur propre du vecteur en lecture: 64.96
Rdmodfacs> Numero du vecteur CERFACS en lecture: 31
Rdmodfacs> Valeur propre du vecteur en lecture: 67.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 32
Rdmodfacs> Valeur propre du vecteur en lecture: 68.74
Rdmodfacs> Numero du vecteur CERFACS en lecture: 33
Rdmodfacs> Valeur propre du vecteur en lecture: 73.01
Rdmodfacs> Numero du vecteur CERFACS en lecture: 34
Rdmodfacs> Valeur propre du vecteur en lecture: 74.92
Rdmodfacs> Numero du vecteur CERFACS en lecture: 35
Rdmodfacs> Valeur propre du vecteur en lecture: 75.44
Rdmodfacs> Numero du vecteur CERFACS en lecture: 36
Rdmodfacs> Valeur propre du vecteur en lecture: 78.04
Rdmodfacs> Numero du vecteur CERFACS en lecture: 37
Rdmodfacs> Valeur propre du vecteur en lecture: 80.58
Rdmodfacs> Numero du vecteur CERFACS en lecture: 38
Rdmodfacs> Valeur propre du vecteur en lecture: 82.76
Rdmodfacs> Numero du vecteur CERFACS en lecture: 39
Rdmodfacs> Valeur propre du vecteur en lecture: 85.09
Rdmodfacs> Numero du vecteur CERFACS en lecture: 40
Rdmodfacs> Valeur propre du vecteur en lecture: 87.16
Rdmodfacs> Numero du vecteur CERFACS en lecture: 41
Rdmodfacs> Valeur propre du vecteur en lecture: 88.54
Rdmodfacs> Numero du vecteur CERFACS en lecture: 42
Rdmodfacs> Valeur propre du vecteur en lecture: 91.34
Rdmodfacs> Numero du vecteur CERFACS en lecture: 43
Rdmodfacs> Valeur propre du vecteur en lecture: 93.00
Rdmodfacs> Numero du vecteur CERFACS en lecture: 44
Rdmodfacs> Valeur propre du vecteur en lecture: 95.81
Rdmodfacs> Numero du vecteur CERFACS en lecture: 45
Rdmodfacs> Valeur propre du vecteur en lecture: 98.75
Rdmodfacs> Numero du vecteur CERFACS en lecture: 46
Rdmodfacs> Valeur propre du vecteur en lecture: 102.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 47
Rdmodfacs> Valeur propre du vecteur en lecture: 103.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 48
Rdmodfacs> Valeur propre du vecteur en lecture: 104.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 49
Rdmodfacs> Valeur propre du vecteur en lecture: 104.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 50
Rdmodfacs> Valeur propre du vecteur en lecture: 106.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 51
Rdmodfacs> Valeur propre du vecteur en lecture: 109.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 52
Rdmodfacs> Valeur propre du vecteur en lecture: 110.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 53
Rdmodfacs> Valeur propre du vecteur en lecture: 111.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 54
Rdmodfacs> Valeur propre du vecteur en lecture: 113.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 55
Rdmodfacs> Valeur propre du vecteur en lecture: 115.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 56
Rdmodfacs> Valeur propre du vecteur en lecture: 117.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 57
Rdmodfacs> Valeur propre du vecteur en lecture: 118.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 58
Rdmodfacs> Valeur propre du vecteur en lecture: 122.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 59
Rdmodfacs> Valeur propre du vecteur en lecture: 123.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 60
Rdmodfacs> Valeur propre du vecteur en lecture: 126.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 61
Rdmodfacs> Valeur propre du vecteur en lecture: 127.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 62
Rdmodfacs> Valeur propre du vecteur en lecture: 130.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 63
Rdmodfacs> Valeur propre du vecteur en lecture: 131.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 64
Rdmodfacs> Valeur propre du vecteur en lecture: 133.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 65
Rdmodfacs> Valeur propre du vecteur en lecture: 134.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 66
Rdmodfacs> Valeur propre du vecteur en lecture: 136.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 67
Rdmodfacs> Valeur propre du vecteur en lecture: 137.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 68
Rdmodfacs> Valeur propre du vecteur en lecture: 137.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 69
Rdmodfacs> Valeur propre du vecteur en lecture: 140.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 70
Rdmodfacs> Valeur propre du vecteur en lecture: 141.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 71
Rdmodfacs> Valeur propre du vecteur en lecture: 143.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 72
Rdmodfacs> Valeur propre du vecteur en lecture: 143.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 73
Rdmodfacs> Valeur propre du vecteur en lecture: 144.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 74
Rdmodfacs> Valeur propre du vecteur en lecture: 145.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 75
Rdmodfacs> Valeur propre du vecteur en lecture: 146.5
Rdmodfacs> Numero du vecteur CERFACS en lecture: 76
Rdmodfacs> Valeur propre du vecteur en lecture: 149.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 77
Rdmodfacs> Valeur propre du vecteur en lecture: 151.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 78
Rdmodfacs> Valeur propre du vecteur en lecture: 153.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 79
Rdmodfacs> Valeur propre du vecteur en lecture: 154.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 80
Rdmodfacs> Valeur propre du vecteur en lecture: 157.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 81
Rdmodfacs> Valeur propre du vecteur en lecture: 158.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 82
Rdmodfacs> Valeur propre du vecteur en lecture: 160.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 83
Rdmodfacs> Valeur propre du vecteur en lecture: 161.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 84
Rdmodfacs> Valeur propre du vecteur en lecture: 162.8
Rdmodfacs> Numero du vecteur CERFACS en lecture: 85
Rdmodfacs> Valeur propre du vecteur en lecture: 165.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 86
Rdmodfacs> Valeur propre du vecteur en lecture: 165.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 87
Rdmodfacs> Valeur propre du vecteur en lecture: 168.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 88
Rdmodfacs> Valeur propre du vecteur en lecture: 169.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 89
Rdmodfacs> Valeur propre du vecteur en lecture: 170.7
Rdmodfacs> Numero du vecteur CERFACS en lecture: 90
Rdmodfacs> Valeur propre du vecteur en lecture: 171.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 91
Rdmodfacs> Valeur propre du vecteur en lecture: 172.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 92
Rdmodfacs> Valeur propre du vecteur en lecture: 174.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 93
Rdmodfacs> Valeur propre du vecteur en lecture: 175.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 94
Rdmodfacs> Valeur propre du vecteur en lecture: 176.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 95
Rdmodfacs> Valeur propre du vecteur en lecture: 178.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 96
Rdmodfacs> Valeur propre du vecteur en lecture: 179.3
Rdmodfacs> Numero du vecteur CERFACS en lecture: 97
Rdmodfacs> Valeur propre du vecteur en lecture: 180.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 98
Rdmodfacs> Valeur propre du vecteur en lecture: 181.4
Rdmodfacs> Numero du vecteur CERFACS en lecture: 99
Rdmodfacs> Valeur propre du vecteur en lecture: 183.2
Rdmodfacs> Numero du vecteur CERFACS en lecture: 100
Rdmodfacs> Valeur propre du vecteur en lecture: 185.6
Rdmodfacs> Numero du vecteur CERFACS en lecture: 101
Rdmodfacs> Valeur propre du vecteur en lecture: 186.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 102
Rdmodfacs> Valeur propre du vecteur en lecture: 189.0
Rdmodfacs> Numero du vecteur CERFACS en lecture: 103
Rdmodfacs> Valeur propre du vecteur en lecture: 190.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 104
Rdmodfacs> Valeur propre du vecteur en lecture: 192.1
Rdmodfacs> Numero du vecteur CERFACS en lecture: 105
Rdmodfacs> Valeur propre du vecteur en lecture: 193.9
Rdmodfacs> Numero du vecteur CERFACS en lecture: 106
Rdmodfacs> Valeur propre du vecteur en lecture: 194.7
Bfactors> 106 vectors, 6573 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 : 12.720000
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= 0.533 for 153 C-alpha atoms.
Bfactors> = 0.007 +/- 0.01
Bfactors> = 13.462 +/- 3.76
Bfactors> Shiftng-fct= 13.455
Bfactors> Scaling-fct= 450.829
Bfactors> Predicted, Scaled and Experimental B-factors are saved.
Bfactors> Normal end.
check_modes
getting mode 7
running: ../../bin/get_modes.sh 2403202327104068355 7 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 7
calculating perturbed structure for DQ=-100
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=0
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=100
2403202327104068355.eigenfacs
2403202327104068355.atom
making animated gifs
11 models are in 2403202327104068355.7.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 2403202327104068355.7.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 2403202327104068355.7.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 2403202327104068355 8 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 8
calculating perturbed structure for DQ=-100
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=0
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=100
2403202327104068355.eigenfacs
2403202327104068355.atom
making animated gifs
11 models are in 2403202327104068355.8.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 2403202327104068355.8.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 2403202327104068355.8.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 2403202327104068355 9 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 9
calculating perturbed structure for DQ=-100
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=0
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=100
2403202327104068355.eigenfacs
2403202327104068355.atom
making animated gifs
11 models are in 2403202327104068355.9.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 2403202327104068355.9.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 2403202327104068355.9.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 2403202327104068355 10 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 10
calculating perturbed structure for DQ=-100
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=0
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=100
2403202327104068355.eigenfacs
2403202327104068355.atom
making animated gifs
11 models are in 2403202327104068355.10.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 2403202327104068355.10.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 2403202327104068355.10.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 2403202327104068355 11 -100 100 20 on 0
normal mode computation
generate a series of perturbations for mode 11
calculating perturbed structure for DQ=-100
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=-20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=0
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=20
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=40
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=60
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=80
2403202327104068355.eigenfacs
2403202327104068355.atom
calculating perturbed structure for DQ=100
2403202327104068355.eigenfacs
2403202327104068355.atom
making animated gifs
11 models are in 2403202327104068355.11.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 2403202327104068355.11.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 2403202327104068355.11.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
2403202327104068355.10.pdb
2403202327104068355.11.pdb
2403202327104068355.7.pdb
2403202327104068355.8.pdb
2403202327104068355.9.pdb
STDERR:
Note: The following floating-point exceptions are signalling: IEEE_DENORMAL
real 0m12.936s
user 0m12.872s
sys 0m0.064s
../../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: 2403202327104068355.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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