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correct writing of dyn_ss for cx and x
[unres.git] / examples / unres / new / microcanonical / VTS / ff_gab / 1L2Y_micro_006.rst
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst
index bfac2ec..6d15216 100644 (file)
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_006.rst
@@ -1,90 +1,90 @@
-   100000.000001333        999.508382165785        595.078583272110     
-   1594.58696543790        300.000000000000     
+   10000.0000001719        29.7924941100046       -46.5308008260052     
+  -16.7383067160005        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.54986E-01   -0.41188E+00    0.28895E+00
-   -0.24280E+01   -0.82104E+00   -0.16800E+01
-    0.64048E+00    0.14675E+01    0.15759E+01
-    0.86161E+00   -0.15596E+01   -0.95706E+00
-   -0.48331E+00    0.16906E+01    0.15745E+00
-    0.97983E+00   -0.16389E+01    0.95767E+00
-   -0.77244E+00    0.44814E+00    0.22762E+00
-    0.18033E-01    0.23910E+00   -0.19295E+01
-   -0.31765E+00   -0.79973E-01    0.33386E+00
-    0.10114E+01   -0.30359E+00    0.10810E+01
-    0.49910E+00    0.16910E+00   -0.78284E+00
-   -0.40036E+00   -0.53030E+00    0.81840E+00
-   -0.71712E+00    0.73922E+00   -0.12402E+01
-   -0.57430E+00   -0.57833E+00    0.17671E+01
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-    0.80861E-01   -0.49836E-01    0.17226E+01
-    0.44275E+00   -0.50924E+00   -0.52228E+00
-   -0.19429E+01    0.67675E+00   -0.11001E+01
+    0.46828E+00    0.22606E+00   -0.27916E+00
+   -0.13151E+00   -0.28503E+00    0.14436E+00
+   -0.14732E-01    0.39311E-01   -0.50999E-01
+   -0.18945E+00    0.19835E+00    0.16460E+00
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+    0.68536E-01    0.16052E+00    0.17025E+00
+   -0.20081E+00   -0.21166E+00   -0.35278E+00
+    0.76296E-01   -0.46264E-01    0.23578E+00
+   -0.12787E+00    0.40859E+00    0.81894E-01
+    0.21694E+00   -0.22764E+00   -0.50126E-01
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+   -0.29224E+00   -0.69526E-02   -0.12083E-01
+    0.36509E+00   -0.45363E-01   -0.12551E+00
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+    0.16664E+00   -0.11481E+00    0.10675E+00
+   -0.87458E-01    0.43709E-01   -0.89457E-01
+    0.51990E-01    0.10787E+00   -0.22896E-01
+   -0.27657E-01   -0.85365E-01    0.11925E-01
+    0.11740E+00   -0.24192E-01   -0.37288E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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-   -0.25919E+00   -0.11655E-01    0.49297E+00
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-   -0.42779E+00    0.86879E-01   -0.11236E+01
-    0.32040E+00    0.80474E+00   -0.46947E+00
-    0.57287E+00   -0.22278E+00    0.79364E+00
+    0.18854E+00   -0.62984E-02   -0.54529E-01
+   -0.27621E+00   -0.18672E+00    0.71148E-01
+   -0.11002E+00    0.74015E-01    0.27445E-01
+   -0.24513E+00   -0.11528E+00    0.13765E+00
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+   -0.29360E-01    0.56287E-01   -0.13162E+00
+    0.25600E-01    0.35997E-01    0.48183E-02
+   -0.57078E-01    0.23095E+00    0.15185E-01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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+   -0.61151E-02    0.21677E+00   -0.38112E-01
+    0.75050E-01    0.64949E-01    0.39015E-01
+   -0.82000E-01    0.37290E-01    0.21258E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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-    0.12416E+01    0.40978E+00    0.46503E-02
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+   -0.52128E-01    0.50845E-01    0.31824E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.38000E+01    0.00000E+00    0.00000E+00
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-   -0.17890E+01   -0.29073E+01    0.16326E+01
-    0.32756E+01   -0.90424E+00    0.16430E+01
-   -0.32993E+01   -0.45631E+00    0.21157E+01
-   -0.30766E+01    0.22190E+01    0.12514E+01
-   -0.86098E+00   -0.31977E+01    0.23308E+01
-   -0.26041E+01   -0.30090E+01   -0.52726E+00
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-   -0.10126E+01    0.34672E+01    0.15997E+01
-   -0.24939E+01    0.18128E+00    0.25914E+01
-   -0.27574E+01   -0.27941E+01   -0.13777E-01
-   -0.96645E+00    0.84922E+00    0.37181E+01
-   -0.26501E+01    0.61216E+00    0.23850E+01
-   -0.11564E+01   -0.30939E+01   -0.13583E+01
-    0.38000E+01   -0.25738E-29   -0.46537E-14
+    0.14835E+01    0.32528E+01    0.13505E+01
+    0.37040E+01    0.59549E+00    0.30608E+00
+   -0.17950E+00    0.24104E+01    0.28852E+01
+   -0.10489E+01   -0.28579E+01    0.22509E+01
+    0.26165E+01   -0.22418E+01   -0.16217E+01
+    0.27691E+01    0.23781E+01    0.90347E+00
+   -0.11643E+01    0.90907E-01    0.35575E+01
+   -0.12148E+01   -0.35511E+01   -0.73915E-01
+    0.33706E+01   -0.15602E+01   -0.81488E+00
+    0.22134E+01    0.14602E+01   -0.27091E+01
+   -0.66856E+00   -0.11675E+01   -0.35185E+01
+    0.75640E+00   -0.36008E+01    0.84193E+00
+   -0.34779E+01   -0.92799E+00    0.13585E+01
+   -0.15822E+01   -0.24431E+01   -0.24104E+01
+   -0.43686E+00    0.23892E+01   -0.28970E+01
+    0.23866E+01    0.18907E+01   -0.22837E+01
+    0.13571E+01    0.35071E+01    0.73185E+00
+   -0.12401E+01    0.27147E+01   -0.24112E+01
+    0.24424E+01    0.26085E+01    0.13588E+01
+    0.37054E+01    0.10728E+00   -0.83576E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.43713E+00    0.78240E+00   -0.12880E+01
-    0.88404E+00   -0.13284E+01   -0.12177E+00
-    0.17111E+01    0.11932E+01    0.97372E+00
-   -0.89446E+00    0.12943E+01   -0.10924E+01
-    0.62806E+00   -0.35816E+00   -0.17451E+01
-    0.26804E+01    0.65371E+00   -0.44849E+00
-   -0.27341E+00   -0.10696E+01   -0.13309E+01
-   -0.56720E-01   -0.13313E+01    0.27420E+01
-    0.42206E-01    0.12162E+01    0.12760E+01
+    0.30018E+00   -0.11259E+01   -0.12217E+01
+   -0.23286E+00    0.11680E+01    0.14506E+01
+    0.14460E+01   -0.18726E+01   -0.85397E+00
+   -0.68918E+00    0.16240E+01   -0.30249E+00
+   -0.22352E+01   -0.17971E+00    0.21223E+00
+    0.16275E+01   -0.20688E+01    0.13192E+00
+    0.93014E+00    0.91514E-01   -0.16960E+01
+    0.24068E+01   -0.30884E+00    0.70597E+00
+   -0.13648E+01   -0.50683E+00   -0.88324E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.16397E-02   -0.11680E+01    0.68035E-01
-   -0.82555E+00    0.62337E+00   -0.10518E+01
-    0.64966E+00    0.86837E+00    0.24848E+00
+    0.12096E+01    0.45774E-01   -0.49360E+00
+    0.64303E+00   -0.97190E+00    0.80339E-01
+   -0.97236E+00   -0.33025E+00    0.59569E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.23282E+00   -0.51337E+00   -0.30263E+01
-   -0.13541E+01   -0.27745E+00   -0.93990E-01
-    0.14248E+01    0.30635E+00   -0.89366E+00
-    0.25469E-01    0.15320E+01   -0.56986E+00
-    0.29672E+00   -0.10123E+01   -0.64368E+00
+   -0.12563E+01    0.15122E+01    0.22920E+01
+   -0.99569E+00   -0.94664E-01   -0.85363E+00
+    0.11497E+01   -0.68946E+00   -0.10760E+00
+   -0.12181E+01   -0.35531E-01    0.45986E+00
+    0.23110E-01    0.70969E-01    0.11186E+01
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x