Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / MD / microcanonical / DYN_SS / a.pdb

diff --git a/examples/unres/MD/microcanonical/DYN_SS/a.pdb b/examples/unres/MD/microcanonical/DYN_SS/a.pdb
new file mode 100644 (file)
index 0000000..1f8ac3f
--- /dev/null
+++ b/examples/unres/MD/microcanonical/DYN_SS/a.pdb
@@ -0,0 +1,54 @@
+REMARK time  923.62                                       ENERGY    -1.15815E+01
+ATOM      1  CA  GLY     1     -11.849   6.596  -2.403          0.090
+ATOM      2  CA  ALA     2     -13.418   6.572  -5.919          0.084
+ATOM      3  CB  ALA     2     -12.908   6.747  -6.410          0.215
+ATOM      4  CA  ALA     3     -16.143   3.889  -6.138          0.010
+ATOM      5  CB  ALA     3     -16.793   4.183  -6.397          0.003
+ATOM      6  CA  ALA     4     -13.520   1.166  -6.550          0.054
+ATOM      7  CB  ALA     4     -12.785   1.239  -6.559          0.090
+ATOM      8  CA  CYS     5     -12.629   1.631  -2.805          0.014
+ATOM      9  CB  CYS     5     -13.518   2.576  -2.698          0.057
+ATOM     10  CA  ALA     6     -13.467  -2.136  -2.650          0.001
+ATOM     11  CB  ALA     6     -13.490  -2.860  -2.729          0.025
+ATOM     12  CA  ALA     7     -11.256  -2.842  -5.622          0.008
+ATOM     13  CB  ALA     7     -11.072  -2.578  -6.320          0.289
+ATOM     14  CA  ALA     8      -8.206  -2.125  -3.496          0.011
+ATOM     15  CB  ALA     8      -8.226  -1.485  -3.216          0.090
+ATOM     16  CA  ALA     9      -9.298  -4.587  -0.877          0.003
+ATOM     17  CB  ALA     9      -9.634  -4.348  -0.224          0.030
+ATOM     18  CA  ALA    10     -10.565  -6.979  -3.578          0.013
+ATOM     19  CB  ALA    10     -10.220  -7.012  -4.281          0.099
+ATOM     20  CA  ALA    11      -9.060 -10.399  -3.347          0.029
+ATOM     21  CB  ALA    11      -9.290 -11.104  -3.486          0.006
+ATOM     22  CA  ALA    12      -5.538  -8.995  -3.201          0.014
+ATOM     23  CB  ALA    12      -5.545  -8.635  -3.863          0.072
+ATOM     24  CA  ALA    13      -4.176  -7.434  -0.023          0.015
+ATOM     25  CB  ALA    13      -3.823  -8.014   0.272          0.042
+ATOM     26  CA  CYS    14      -3.957  -3.989   1.621          0.033
+ATOM     27  CB  CYS    14      -5.048  -3.526   1.725          0.005
+ATOM     28  CA  ALA    15      -3.473  -3.009   5.302          0.070
+ATOM     29  CB  ALA    15      -3.003  -3.112   5.889          0.053
+ATOM     30  CA  ALA    16      -3.888   0.809   5.844          0.030
+ATOM     31  CB  ALA    16      -4.524   1.149   5.521          0.034
+ATOM     32  CA  ALA    17      -3.394   0.685   9.610          0.028
+ATOM     33  CB  ALA    17      -2.879   0.254   9.328          0.032
+ATOM     34  CA  GLY    18      -3.341   3.372  12.241          0.000
+TER
+CONECT    1    2
+CONECT    2    4    3
+CONECT    4    6    5
+CONECT    6    8    7
+CONECT    8   10    9
+CONECT   10   12   11
+CONECT   12   14   13
+CONECT   14   16   15
+CONECT   16   18   17
+CONECT   18   20   19
+CONECT   20   22   21
+CONECT   22   24   23
+CONECT   24   26   25
+CONECT   26   28   27
+CONECT   28   30   29
+CONECT   30   32   31
+CONECT   32   34   33
+ENDMDL