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correct writing of dyn_ss for cx and x
[unres.git] / examples / unres / new / microcanonical / VTS / ff_gab / 1L2Y_micro_003.rst
diff --git a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst
index d93297d..f9d5df2 100644 (file)
--- a/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst
+++ b/examples/unres/new/microcanonical/VTS/ff_gab/1L2Y_micro_003.rst
@@ -1,90 +1,90 @@
-   100000.000001333        36.3838989505790       -29.0433045329792     
-   7.34059441759980        300.000000000000     
+   10000.0000001719        25.5609058508237       -46.9724409242854     
+  -21.4115350734617        300.000000000000     
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.28388E+00   -0.18022E+00    0.20890E+00
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-   -0.96729E-01    0.18696E+00    0.24204E+00
-    0.58447E-01    0.52363E-01   -0.24753E+00
-    0.67991E-01   -0.12571E+00    0.13168E-01
-   -0.28248E+00   -0.56452E-01   -0.78550E-01
-    0.80140E-01    0.13967E+00    0.15884E+00
-    0.28949E+00   -0.37547E-01   -0.18100E+00
-   -0.36207E+00    0.29681E-01    0.25014E+00
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-   -0.26930E+00   -0.25030E+00    0.35820E+00
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-   -0.58721E-02    0.27626E-02   -0.43511E+00
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+   -0.53917E-01    0.79364E-01    0.85240E-02
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+   -0.58501E-01    0.10295E+00    0.21061E-01
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+   -0.11021E+00    0.76021E-01    0.20032E+00
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+    0.10490E+00    0.99057E-02    0.30596E-01
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+   -0.94570E-01   -0.17797E+00   -0.73060E-02
+    0.27979E+00   -0.27485E-01    0.27741E+00
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     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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-   -0.12991E+00    0.19050E-01    0.76850E-01
-    0.15624E+00    0.10233E+00    0.96998E-01
-   -0.54334E-01    0.75988E-01    0.98595E-01
+    0.92781E-01   -0.33242E-01    0.12737E+00
+   -0.22422E+00    0.43403E-01    0.11750E+00
+    0.16498E-01   -0.20211E-01   -0.65909E-01
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+    0.53072E-01    0.18552E+00   -0.15940E+00
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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-    0.26492E+00   -0.34722E-01   -0.10775E-01
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+   -0.27488E-01   -0.82660E-01    0.43149E-01
+   -0.17451E+00    0.13432E+00   -0.19643E+00
     0.00000E+00    0.00000E+00    0.00000E+00
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-   -0.17945E-01   -0.98504E-01    0.46092E-01
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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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-    0.14836E+01   -0.64373E+00    0.34088E+01
-   -0.27329E+01   -0.12974E+01    0.22379E+01
-    0.22078E+01   -0.81250E+00    0.30367E+01
-   -0.26602E+00    0.35783E+01    0.12419E+01
-   -0.32050E+01    0.19051E+01    0.56635E-01
-   -0.22397E+01   -0.21535E+00   -0.30807E+01
-    0.17910E+01    0.17951E+01   -0.29285E+01
-   -0.18941E+01    0.29412E+01   -0.13678E+01
-    0.11885E+01    0.10636E+01   -0.34567E+01
-    0.38000E+01   -0.25738E-29   -0.46537E-14
+    0.29695E+00    0.38157E+00   -0.38307E+01
+   -0.28374E+01    0.25258E+01   -0.14373E+00
+    0.15738E+01    0.13101E+01   -0.32192E+01
+   -0.15289E+01   -0.30147E+01   -0.17216E+01
+   -0.31751E+01    0.49318E+00    0.20784E+01
+   -0.77948E+00    0.33739E+01   -0.14265E+01
+    0.87021E+00   -0.10735E+01   -0.35217E+01
+   -0.26698E+01   -0.27260E+01   -0.12168E+00
+   -0.26732E+01    0.26188E+01   -0.51188E+00
+   -0.11100E+00    0.19641E+01    0.32413E+01
+   -0.11134E+01   -0.23288E+01    0.27967E+01
+   -0.25431E+01   -0.16974E+01   -0.23532E+01
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+   -0.14950E+01   -0.31175E+01    0.15603E+01
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+   -0.14800E+01    0.20700E+01    0.28662E+01
+    0.60647E+00    0.37127E+01   -0.53628E+00
+    0.26746E+01    0.15260E+01    0.23514E+01
+    0.16235E+00    0.37841E+01    0.13220E+00
+    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
-    0.12793E+01   -0.43927E+00    0.10316E+01
-   -0.16850E+01   -0.98934E+00   -0.15329E+00
-    0.20804E+01    0.13771E+01    0.20268E+00
-   -0.29411E+00   -0.17104E+01    0.47304E+00
-    0.59969E+00    0.94069E+00   -0.19568E+01
-    0.64178E+00    0.24747E+01    0.46276E+00
-   -0.39147E+00   -0.71910E+00    0.17349E+01
-   -0.20414E+01   -0.14223E+01   -0.48125E+00
-    0.12643E+01    0.11137E+01   -0.37421E+00
+    0.62164E+00   -0.12683E+01    0.87684E+00
+    0.99781E+00   -0.10976E+01   -0.12618E+01
+   -0.23001E+01    0.80542E+00    0.74747E+00
+    0.16839E+01    0.25275E+00   -0.36561E+00
+    0.48289E-01   -0.19978E+01    0.95995E+00
+   -0.22052E+01   -0.44599E+00    0.13513E+01
+   -0.31438E+00    0.10717E+01    0.15506E+01
+    0.21499E+01   -0.27178E+00   -0.13183E+01
+   -0.39102E+00    0.28224E+00    0.16619E+01
     0.00000E+00    0.00000E+00    0.00000E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-   -0.21114E+00    0.71581E+00    0.11020E+01
-   -0.62949E+00    0.72633E+00    0.76782E+00
-    0.83141E+00   -0.70427E+00    0.36650E+00
+    0.75102E+00    0.47885E+00    0.92584E+00
+   -0.89632E+00   -0.97796E-01   -0.63280E+00
+    0.10566E+01   -0.33839E+00    0.10036E+00
     0.00000E+00    0.00000E+00    0.00000E+00
-    0.20806E+01    0.78902E+00    0.19848E+01
-   -0.11831E+01    0.67228E+00   -0.99166E-01
-    0.40592E+00   -0.12682E+01   -0.25787E+00
-    0.97170E+00    0.82208E+00    0.45762E+00
-   -0.77488E+00   -0.73988E+00   -0.50755E+00
+    0.29453E+01    0.37760E+00    0.15586E+00
+    0.10996E+01   -0.92769E+00    0.27173E+00
+   -0.12369E+01    0.92072E-01    0.54588E+00
+    0.77621E+00   -0.93755E+00   -0.61616E+00
+   -0.18629E+00    0.42397E+00    0.10433E+01
     0.00000E+00    0.00000E+00    0.00000E+00
UNRESPACK 3.x