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correct writing of dyn_ss for cx and x
[unres.git] / examples / unres / new / microcanonical / RESPA / ff_gab / 1L2Y_micro_000.rst
diff --git a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst
index 116f03e..8549144 100644 (file)
--- a/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst
+++ b/examples/unres/new/microcanonical/RESPA/ff_gab/1L2Y_micro_000.rst
@@ -1,90 +1,90 @@
-   100000.000001333        32.4550213885225       -51.2561513293638     
-  -18.8011299408414        300.000000000000     
+   10000.0000001719        27.3183029506630       -46.3045942223490     
+  -18.9862912716860        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
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-    0.10800E+00   -0.11622E-01    0.17368E+00
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-   -0.53054E-01   -0.10498E+00    0.80331E-01
-    0.18471E+00    0.12651E+00   -0.55817E-01
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-   -0.87786E-01    0.63862E-01    0.10615E+00
-   -0.30894E-01    0.41167E-01    0.88068E-01
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     0.00000E+00    0.00000E+00    0.00000E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
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-   -0.10610E+00    0.99687E-01    0.54635E-02
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     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
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     0.00000E+00    0.00000E+00    0.00000E+00
     0.38000E+01    0.00000E+00    0.00000E+00
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-    0.20531E+01    0.20572E+01   -0.24922E+01
-    0.36944E+01    0.53976E+00    0.67093E+00
-    0.19660E+01    0.31913E+01   -0.81247E+00
-    0.38000E+01   -0.25738E-29   -0.46537E-14
+    0.42066E+00    0.37439E+01    0.56545E+00
+   -0.14266E+01   -0.15730E+00    0.35365E+01
+    0.36347E+00    0.37761E+01    0.43736E+00
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+   -0.12127E+01   -0.31620E+01    0.16476E+01
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+   -0.33112E+01    0.19044E+01    0.28976E+00
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+    0.34916E+01   -0.14430E+01    0.28829E+00
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+    0.36964E+01    0.86213E+00   -0.15694E+00
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+   -0.27718E-01    0.36328E+01    0.11528E+01
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+    0.73652E+00    0.19470E+01    0.31678E+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
-    0.12043E+01   -0.10539E+01    0.44421E+00
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-    0.17460E+01   -0.13325E+01    0.50944E+00
-   -0.21072E+01   -0.91537E+00    0.11239E+01
-    0.38160E+00    0.15285E+01    0.11079E+01
-    0.23167E+01    0.70192E+00    0.57086E+00
-   -0.36857E+00   -0.15912E+01    0.48750E+00
+    0.16872E+01    0.28447E-01   -0.31065E+00
+   -0.26855E+00    0.11810E+01   -0.15278E+01
+   -0.61720E+00   -0.11773E+01    0.20065E+01
+    0.16148E+01    0.28077E+00   -0.60846E+00
+    0.69240E+00    0.14719E+01   -0.15500E+01
+   -0.17448E+01   -0.19675E+01    0.20233E+00
+    0.17449E+01   -0.96289E-01    0.83071E+00
+   -0.16317E+00    0.94022E+00   -0.23245E+01
+   -0.16170E+00    0.53676E+00   -0.15911E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.53569E-01    0.11908E+01   -0.58136E+00
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+    0.25110E+00   -0.52488E+00    0.11740E+01
+   -0.42089E+00   -0.72272E+00    0.73778E+00
+    0.23856E+00    0.11216E+01    0.27043E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.16566E+01   -0.14580E+01   -0.19866E+01
-   -0.18308E+00   -0.60338E+00    0.12012E+01
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-   -0.85406E+00    0.65317E+00    0.48906E+00
+    0.13931E+01    0.20200E+01   -0.17234E+01
+    0.75112E+00   -0.91234E+00   -0.62340E+00
+    0.56743E+00   -0.11090E+00    0.11971E+01
+   -0.48992E+00   -0.35168E+00   -0.11649E+01
+   -0.15979E+00   -0.76168E+00    0.83862E+00
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x