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Filename.out Description

 


File Descriptions

 

[filename].out

Contains the multiple models written out in PDB format during the LINUS simulation.


COMPND     CYCLE 100 ENERGY -1.46288
ATOM      1  N   ALA     1       0.000   0.000   0.000  0.00  0.00
ATOM      2  CA  ALA     1       1.458   0.000   0.000  0.00  0.00
ATOM      3  C   ALA     1       1.972   1.436   0.000  0.00  0.00
ATOM      4  O   ALA     1       1.226   2.373  -0.282  0.00  0.00
ATOM      5  CB  ALA     1       1.988  -0.755  -1.209  0.00  0.00
ATOM      6  N   ALA     2       3.254   1.600   0.316  0.00  0.00
ATOM      7  CA  ALA     2       3.850   2.925   0.433  0.00  0.00
ATOM      8  C   ALA     2       3.935   3.637  -0.913  0.00  0.00
ATOM      9  O   ALA     2       4.391   3.063  -1.901  0.00  0.00
ATOM     10  CB  ALA     2       5.242   2.828   1.037  0.00  0.00
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ATOM     41  N   ALA     9       2.472   6.746 -11.883  0.00  0.00
ATOM     42  CA  ALA     9       3.379   7.356 -12.849  0.00  0.00
ATOM     43  C   ALA     9       4.147   6.312 -13.652  0.00  0.00
ATOM     44  O   ALA     9       4.214   6.385 -14.880  0.00  0.00
ATOM     45  CB  ALA     9       4.366   8.273 -12.142  0.00  0.00
TER
COMPND     CYCLE 200 ENERGY -1.72498
ATOM      1  N   ALA     1       0.000   0.000   0.000  0.00  0.00
ATOM      2  CA  ALA     1       1.458   0.000   0.000  0.00  0.00
ATOM      3  C   ALA     1       2.025   1.416   0.000  0.00  0.00
ATOM      4  O   ALA     1       3.123   1.656   0.503  0.00  0.00
ATOM      5  CB  ALA     1       1.988  -0.755  -1.209  0.00  0.00
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