Merge branch 'prerelease-3.2.1' into czarek

[unres.git] / examples / unres / new / microcanonical / DYN_SS / hth / small_MD000.pdb

diff --git a/examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb b/examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb
index 0ccab6c..3d26e9a 100644 (file)
--- a/examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb
+++ b/examples/unres/new/microcanonical/DYN_SS/hth/small_MD000.pdb
@@ -1402,7 +1402,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  134.91                                       ENERGY    -2.04981E+01
 ATOM      1  CA  GLY     1       0.816   2.415  -2.043          0.072
@@ -1944,7 +1943,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  184.82                                       ENERGY    -1.77686E+01
 ATOM      1  CA  GLY     1      -2.693   1.571  -1.824          0.033
@@ -2756,7 +2754,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  259.78                                       ENERGY    -1.81992E+01
 ATOM      1  CA  GLY     1      -1.131  -2.328  -2.394          0.067
@@ -5350,7 +5347,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  499.68                                       ENERGY    -3.13539E+01
 ATOM      1  CA  GLY     1      -5.163  -4.520   1.129          0.050
@@ -5676,7 +5672,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  529.65                                       ENERGY    -1.81499E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -5732,7 +5727,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  534.65                                       ENERGY    -1.63306E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -5788,7 +5782,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  539.65                                       ENERGY    -2.36310E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -5844,7 +5837,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  544.64                                       ENERGY    -2.55983E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -5900,7 +5892,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  549.62                                       ENERGY    -1.30015E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -5956,7 +5947,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  554.62                                       ENERGY    -2.46767E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -6012,7 +6002,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  559.62                                       ENERGY    -2.08250E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -6068,7 +6057,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  564.57                                       ENERGY    -2.56699E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -6124,7 +6112,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  569.57                                       ENERGY    -2.47057E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -6180,7 +6167,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  574.57                                       ENERGY    -2.91219E+01
 ATOM      1  CA  GLY     1      -4.558  -4.447  -2.586          0.013
@@ -6830,7 +6816,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  634.56                                       ENERGY    -1.57068E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -6886,7 +6871,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  639.56                                       ENERGY    -1.93402E+01
 ATOM      1  CA  GLY     1       0.744   3.793  -0.867          0.005
@@ -7914,7 +7898,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  734.50                                       ENERGY    -2.47457E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -7970,7 +7953,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  739.50                                       ENERGY    -2.82480E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -8026,7 +8008,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  744.50                                       ENERGY    -2.87503E+01
 SSBOND   1 CYS    -14    CYS     -5
@@ -8082,7 +8063,6 @@ CONECT   26   28   27
 CONECT   28   30   29
 CONECT   30   32   31
 CONECT   32   34   33
-CONECT    1    1
 ENDMDL
 REMARK time  749.50                                       ENERGY    -1.89208E+01
 ATOM      1  CA  GLY     1       1.377  -3.465  -4.335          0.026